N-[(4-methylphenyl)methyl]-N~3~-(thiophene-2-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N~3~-(thiophene-2-sulfonyl)-beta-alaninamide
N-[(4-methylphenyl)methyl]-N~3~-(thiophene-2-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C137-0838 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N~3~-(thiophene-2-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C15 H18 N2 O3 S2 |
| Smiles: | Cc1ccc(CNC(CCNS(c2cccs2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1941 |
| logD: | 2.1939 |
| logSw: | -2.7685 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.328 |
| InChI Key: | OBQCWSKSBBUBPH-UHFFFAOYSA-N |