TL;DR: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (CAS 1033587-80-2) is a chemical compound with molecular formula C23H29N3O4S and molecular weight 443.18787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
Also Known As: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide, 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide, N~2~-(3,5-dimethylphenyl)-N~2~-(methylsulfonyl)-N-[2-(pyrrolidin-1-ylcarbonyl)phenyl]alaninamide
| Molecular Formula | C23H29N3O4S |
| Molecular Weight | 443.18787 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.18787 Da |
| Heavy Atoms | 31 |
| Complexity | 734.0 |
| SMILES | CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=CC=CC=C2C(=O)N3CCCC3)S(=O)(=O)C)C |
| InChIKey | YVIIFMNLXIXWAV-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide. Following Lipinski's Rule of Five, 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is 1033587-80-2.
The molecular formula of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is C23H29N3O4S.
The molecular weight of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is 443.18787 g/mol.
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