N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-propyl-1H-pyrrol-2-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-propyl-1H-pyrrol-2-yl]-3-methylbutanamide
N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-propyl-1H-pyrrol-2-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | D715-2096 |
| Compound Name: | N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-propyl-1H-pyrrol-2-yl]-3-methylbutanamide |
| Molecular Weight: | 390.54 |
| Molecular Formula: | C21 H30 N2 O3 S |
| Smiles: | CCCn1c(C)c(C)c(c1NC(CC(C)C)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5661 |
| logD: | 4.5583 |
| logSw: | -4.1399 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.508 |
| InChI Key: | PICFRTITPQZUNK-UHFFFAOYSA-N |