2-Propenamide, N-(2-(methylthio)ethyl)-3-phenyl-, (E)-
PubChem CID: 21729211
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| Compound Synonyms | 2-Propenamide, N-[2-(methylthio)ethyl]-3-phenyl-, (E)-, 157868-61-6, 2-Propenamide, N-(2-(methylthio)ethyl)-3-phenyl-, (E)-, DTXSID601210628, (E)-N-(2-methylsulfanylethyl)-3-phenylprop-2-enamide |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-(2-methylsulfanylethyl)-3-phenylprop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C12H15NOS |
| Prediction Swissadme | 0.0 |
| Inchi Key | CZPFYRXMRFHCLN-BQYQJAHWSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.774 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.191 |
| Compound Name | 2-Propenamide, N-(2-(methylthio)ethyl)-3-phenyl-, (E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 221.087 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 221.087 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 221.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.841415 |
| Inchi | InChI=1S/C12H15NOS/c1-15-10-9-13-12(14)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,13,14)/b8-7+ |
| Smiles | CSCCNC(=O)/C=C/C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Hirta (Plant) Rel Props:Source_db:cmaup_ingredients