N-{[4-(methylsulfanyl)phenyl]methyl}-N~2~-(thiophene-2-sulfonyl)valinamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-N~2~-(thiophene-2-sulfonyl)valinamide
N-{[4-(methylsulfanyl)phenyl]methyl}-N~2~-(thiophene-2-sulfonyl)valinamide
Compound characteristics
| Compound ID: | G557-0274 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-N~2~-(thiophene-2-sulfonyl)valinamide |
| Molecular Weight: | 398.56 |
| Molecular Formula: | C17 H22 N2 O3 S3 |
| Smiles: | CC(C)C(C(NCc1ccc(cc1)SC)=O)NS(c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1027 |
| logD: | 3.1017 |
| logSw: | -3.3567 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.266 |
| InChI Key: | OZSGNGCFEMYXES-INIZCTEOSA-N |