2-(4-methoxyphenoxy)-N-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}acetamide
PubChem CID: 1015183
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| Compound Synonyms | 2-(4-methoxyphenoxy)-N-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}acetamide, 2-(4-methoxyphenoxy)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide, Theasaponin E5, ZINC00676646, Oprea1_301395, STK033906, 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide, AKOS000494028, CCG-276922, AN-329/41692888, 2-(4-METHOXYPHENOXY)-N-[4-(4-METHYLPIPERIDIN-1-YLSULFONYL)PHENYL]ACETAMIDE |
|---|---|
| Topological Polar Surface Area | 93.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ZHMUXSUXNPKJPV-UHFFFAOYSA-N |
| Rotatable Bond Count | 7.0 |
| Synonyms | (+)-Theasaponin E5 |
| Heavy Atom Count | 29.0 |
| Compound Name | 2-(4-methoxyphenoxy)-N-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}acetamide |
| Description | Theasaponin e5 is a member of the class of compounds known as benzenesulfonamides. Benzenesulfonamides are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. Theasaponin e5 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Theasaponin e5 can be found in tea, which makes theasaponin e5 a potential biomarker for the consumption of this food product. |
| Exact Mass | 418.156 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 418.156 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 611.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 418.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H26N2O5S/c1-16-11-13-23(14-12-16)29(25,26)20-9-3-17(4-10-20)22-21(24)15-28-19-7-5-18(27-2)6-8-19/h3-10,16H,11-15H2,1-2H3,(H,22,24) |
| Smiles | CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC |
| Xlogp | 3.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C21H26N2O5S |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all