Apremilast
PubChem CID: 11561674
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| Compound Synonyms | Apremilast, 608141-41-9, OTEZLA, CC-10004, CC 10004, Apremilast (CC-10004), CC10004, CHEBI:78540, (S)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-acetylaminoisoindoline-1,3-dione, apremilastum, UNII-UP7QBP99PN, UP7QBP99PN, (S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-4-yl)acetamide, C22H24N2O7S, HSDB 8221, CHEMBL514800, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, (+)-N-(2-((1S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxo- 2,3-dihydro-1H-isoindol-4-yl)acetamide, N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide, MFCD18782607, Apremilast [USAN], Apremilast [USAN:INN], Apremilast?, (S)-Apremilast, Acetamide, N-(2-((1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)-, Acetamide, N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-, N-(2-((1S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)acetamide, N-(2-((1S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)acetamide, N-[2-[(1S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]acetamide, Otezla (TN), Apremilast (Standard), APREMILAST [MI], APREMILAST [INN], APREMILAST [JAN], Apremilast (JAN/USAN), APREMILAST [VANDF], APREMILAST [WHO-DD], SCHEMBL302992, Apremilast - Bio-X trade mark, GTPL7372, APREMILAST [ORANGE BOOK], DTXSID30976289, EX-A336, L04AA32, IMOZEMNVLZVGJZ-QGZVFWFLSA-N, cas:608141-41-9, Apremilast, BCP03783, BCP25283, BDBM50248919, HY-12085R, s8034, AKOS016339660, BCP9000311, CCG-269336, CS-0671, DB05676, FA29510, FK-0727, 1ST15152, AC-27650, BA164215, DA-61173, HY-12085, BCP0726000109, SW219856-1, D08860, EN300-7423712, Q2858961, BRD-K93208532-001-02-5, Z1837762189, (S)-N-{2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}-acetamide, 4-[[5 pound not7-dihydroxy-2 pound not2-dimethyl-8-(2-methylpropanoyl)chromen-6-yl]methy l]-3 pound not5-dihydroxy-6 pound not6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2 pound not4-dien- 1-one, A9L, Acetamide, N-(2-((1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)- 2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)- |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 825.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide |
| Prediction Hob | 1.0 |
| Target Id | NPT4735, NPT1464 |
| Xlogp | 1.8 |
| Molecular Formula | C22H24N2O7S |
| Prediction Swissadme | 1.0 |
| Inchi Key | IMOZEMNVLZVGJZ-QGZVFWFLSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -3.793 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.087 |
| Compound Name | Apremilast |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 460.13 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 460.13 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 460.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.591249600000001 |
| Inchi | InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1 |
| Smiles | CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Massoniana (Plant) Rel Props:Source_db:cmaup_ingredients