TL;DR: N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-D-leucine (CAS 1173673-98-7) is a chemical compound with molecular formula C15H23N3O5S and molecular weight 357.13583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-4-methyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]pentanoic acid
Also Known As: N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-D-leucine, (R)-4-methyl-2-(3-(4-sulfamoylphenethyl)ureido)pentanoic acid, 4-methyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]pentanoic Acid, (2R)-4-methyl-2-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]pentanoic acid
| Molecular Formula | C15H23N3O5S |
| Molecular Weight | 357.13583 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.13583 Da |
| Heavy Atoms | 24 |
| Complexity | 522.0 |
| SMILES | CC(C)C[C@H](C(=O)O)NC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N |
| InChIKey | AUAYWSZANCAGKC-CYBMUJFWSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-D-leucine. The TPSA of 147.0 Ų indicates high polarity, suggesting N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-D-leucine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-D-leucine has 4 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-(4-sulfamoylphenyl)ethyl]carbamoyl}-D-leucine is 1173673-98-7.
The molecular formula of N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-D-leucine is C15H23N3O5S.
The molecular weight of N-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-D-leucine is 357.13583 g/mol.
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