N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyrrolidine-1-sulfonyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyrrolidine-1-sulfonyl)thiophene-2-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyrrolidine-1-sulfonyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | F561-0890 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-5-(pyrrolidine-1-sulfonyl)thiophene-2-carboxamide |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C17 H20 N2 O3 S3 |
| Smiles: | CSc1ccc(CNC(c2ccc(s2)S(N2CCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.312 |
| logD: | 3.3119 |
| logSw: | -3.7266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.747 |
| InChI Key: | PYSKSIHZQRMHIK-UHFFFAOYSA-N |