TL;DR: N(alpha)-(2-Naphthylsulfonylglycyl)-1-(4-aminomethylphenylalanine)piperidide (CAS 108460-11-3) is a chemical compound with molecular formula C27H32N4O4S and molecular weight 508.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[4-(aminomethyl)phenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide
Also Known As: Nsgampp, N(alpha)-(2-Naphthylsulfonylglycyl)-1-(4-aminomethylphenylalanine)piperidide, N-[3-[4-(aminomethyl)phenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide, Acetamide, N-(1-((4-(aminomethyl)phenyl)methyl)-2-oxo-2-(1-piperidinyl)ethyl)-2-((2-naphthalenylsulfonyl)amino)-, N-{3-[4-(Aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl}(naphthalene-2-sulfonamido)ethanimidic acid
| Molecular Formula | C27H32N4O4S |
| Molecular Weight | 508.21442 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.21442 Da |
| Heavy Atoms | 36 |
| Complexity | 831.0 |
| SMILES | C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)CN)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 |
| InChIKey | AQEIPFIAMJAELJ-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(alpha)-(2-Naphthylsulfonylglycyl)-1-(4-aminomethylphenylalanine)piperidide. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N(alpha)-(2-Naphthylsulfonylglycyl)-1-(4-aminomethylphenylalanine)piperidide. Following Lipinski's Rule of Five, N(alpha)-(2-Naphthylsulfonylglycyl)-1-(4-aminomethylphenylalanine)piperidide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N(alpha)-(2-Naphthylsulfonylglycyl)-1-(4-aminomethylphenylalanine)piperidide is 108460-11-3.
The molecular formula of N(alpha)-(2-Naphthylsulfonylglycyl)-1-(4-aminomethylphenylalanine)piperidide is C27H32N4O4S.
The molecular weight of N(alpha)-(2-Naphthylsulfonylglycyl)-1-(4-aminomethylphenylalanine)piperidide is 508.21442 g/mol.
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