N-[4-({1-(2-methylpropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide
Chemical Structure Depiction of
N-[4-({1-(2-methylpropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide
N-[4-({1-(2-methylpropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide
Compound characteristics
| Compound ID: | V026-7484 |
| Compound Name: | N-[4-({1-(2-methylpropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzenesulfonamide |
| Molecular Weight: | 549.71 |
| Molecular Formula: | C29 H31 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1ccc(cc1)NS(c1ccccc1)(=O)=O)Nc1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4541 |
| logD: | 6.4159 |
| logSw: | -5.7047 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.524 |
| InChI Key: | BLOYKCGEYAOTKE-UHFFFAOYSA-N |