TL;DR: 1-[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxamide (CAS 529498-18-8) is a chemical compound with molecular formula C20H22N4O6S and molecular weight 446.126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]piperidine-4-carboxamide
Also Known As: 1-[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]piperidine-4-carboxamide, 1-[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxamide, 1-[2-[benzenesulfonyl-(4-nitrophenyl)amino]acetyl]piperidine-4-carboxamide, 1-{2-[N-(4-NITROPHENYL)BENZENESULFONAMIDO]ACETYL}PIPERIDINE-4-CARBOXAMIDE, Cambridge id 7203762
| Molecular Formula | C20H22N4O6S |
| Molecular Weight | 446.126 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.126 Da |
| Heavy Atoms | 31 |
| Complexity | 756.0 |
| SMILES | C1CN(CCC1C(=O)N)C(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 |
| InChIKey | ZGDSJTUWJXKRDL-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxamide. The TPSA of 155.0 Ų indicates high polarity, suggesting 1-[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxamide is 529498-18-8.
The molecular formula of 1-[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxamide is C20H22N4O6S.
The molecular weight of 1-[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxamide is 446.126 g/mol.
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