N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide
Compound characteristics
| Compound ID: | C224-4926 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C22 H20 N2 O6 S2 |
| Smiles: | C(CS(c1cccs1)(=O)=O)C(Nc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4156 |
| logD: | 2.4147 |
| logSw: | -2.9753 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.7 |
| InChI Key: | ALYJDFJULZVWOJ-UHFFFAOYSA-N |