TL;DR: N-(2-hydroxyethyl)-N~2~-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucinamide (CAS 1212331-09-3) is a chemical compound with molecular formula C20H31N3O5S and molecular weight 425.19846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzenesulfonyl)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]piperidine-4-carboxamide
Also Known As: N-(2-hydroxyethyl)-N~2~-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucinamide, (S)-N-(1-((2-hydroxyethyl)amino)-4-methyl-1-oxopentan-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide, 1-(benzenesulfonyl)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]piperidine-4-carboxamide
| Molecular Formula | C20H31N3O5S |
| Molecular Weight | 425.19846 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.19846 Da |
| Heavy Atoms | 29 |
| Complexity | 633.0 |
| SMILES | CC(C)C[C@@H](C(=O)NCCO)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | PKRYIFGUTSGQHU-SFHVURJKSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-hydroxyethyl)-N~2~-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucinamide. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-hydroxyethyl)-N~2~-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucinamide. Following Lipinski's Rule of Five, N-(2-hydroxyethyl)-N~2~-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucinamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-hydroxyethyl)-N~2~-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucinamide is 1212331-09-3.
The molecular formula of N-(2-hydroxyethyl)-N~2~-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucinamide is C20H31N3O5S.
The molecular weight of N-(2-hydroxyethyl)-N~2~-{[1-(phenylsulfonyl)piperidin-4-yl]carbonyl}-L-leucinamide is 425.19846 g/mol.
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