TL;DR: (S)-N-(1-((2,5-dimethylphenyl)amino)-1-oxopropan-2-yl)-1-tosylpiperidine-4-carboxamide (CAS 1173673-00-1) is a chemical compound with molecular formula C24H31N3O4S and molecular weight 457.20352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
Also Known As: (S)-N-(1-((2,5-dimethylphenyl)amino)-1-oxopropan-2-yl)-1-tosylpiperidine-4-carboxamide, N-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
| Molecular Formula | C24H31N3O4S |
| Molecular Weight | 457.20352 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.20352 Da |
| Heavy Atoms | 32 |
| Complexity | 750.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NC3=C(C=CC(=C3)C)C |
| InChIKey | LVELLBBPVVHTMR-IBGZPJMESA-N |
The XLogP value of 3.2 indicates that (S)-N-(1-((2,5-dimethylphenyl)amino)-1-oxopropan-2-yl)-1-tosylpiperidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-((2,5-dimethylphenyl)amino)-1-oxopropan-2-yl)-1-tosylpiperidine-4-carboxamide. Following Lipinski's Rule of Five, (S)-N-(1-((2,5-dimethylphenyl)amino)-1-oxopropan-2-yl)-1-tosylpiperidine-4-carboxamide has 2 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 (S)-N-(1-((2,5-dimethylphenyl)amino)-1-oxopropan-2-yl)-1-tosylpiperidine-4-carboxamide is 1173673-00-1.
The molecular formula of (S)-N-(1-((2,5-dimethylphenyl)amino)-1-oxopropan-2-yl)-1-tosylpiperidine-4-carboxamide is C24H31N3O4S.
The molecular weight of (S)-N-(1-((2,5-dimethylphenyl)amino)-1-oxopropan-2-yl)-1-tosylpiperidine-4-carboxamide is 457.20352 g/mol.
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