N-[(4-chlorophenyl)methyl]-N~3~-(thiophene-2-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-N~3~-(thiophene-2-sulfonyl)-beta-alaninamide
N-[(4-chlorophenyl)methyl]-N~3~-(thiophene-2-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C137-1014 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-N~3~-(thiophene-2-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 358.86 |
| Molecular Formula: | C14 H15 Cl N2 O3 S2 |
| Smiles: | C(CNS(c1cccs1)(=O)=O)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3654 |
| logD: | 2.3652 |
| logSw: | -3.0763 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.328 |
| InChI Key: | CMSISMQTERTKKG-UHFFFAOYSA-N |