N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-methylpropyl)-1H-pyrrol-2-yl]butanamide
Chemical Structure Depiction of
N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-methylpropyl)-1H-pyrrol-2-yl]butanamide
N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-methylpropyl)-1H-pyrrol-2-yl]butanamide
Compound characteristics
| Compound ID: | D715-2114 |
| Compound Name: | N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(2-methylpropyl)-1H-pyrrol-2-yl]butanamide |
| Molecular Weight: | 390.54 |
| Molecular Formula: | C21 H30 N2 O3 S |
| Smiles: | CCCC(Nc1c(c(C)c(C)n1CC(C)C)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5584 |
| logD: | 4.5535 |
| logSw: | -4.1869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.529 |
| InChI Key: | XPZCVSVZABYNRI-UHFFFAOYSA-N |