ethyl N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]carbamate

• ChemBase ID: 166555
• Molecular Formular: C18H27N3O5S
• Molecular Mass: 397.48908
• Monoisotopic Mass: 397.16714198
• SMILES: O(C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)CC
• Canonical SMILES: CCOC(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
• InChI: InChI=1S/C18H27N3O5S/c1-2-26-18(23)19-13-12-14-8-10-16(11-9-14)27(24,25)21-17(22)20-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,19,23)(H2,20,21,22)
• InChIKey: OIJHHAAHXNZKKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]carbamate
• IUPAC Traditional name: ethyl N-(2-{4-[(cyclohexylcarbamoyl)aminosulfonyl]phenyl}ethyl)carbamate
• Synonyms: [p-[(Cyclohexylcarbamoyl)sulfamoyl]phenethyl]carbamic Acid Ethyl Ester; [p-[(3-Cyclohexylureido)sulfonyl]phenethyl]carbamic Acid Ethyl Ester; N-Des(5-methylpyrazinecarbonyl)-N-ethylcarboxyl Glipizide

Database IDs

• CAS Number: 13554-93-3
• PubChem SID: 162260688
• PubChem CID: 71315774

CALCULATED PROPERTIES

• Acid pKa: 4.3201785
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.6944654
• LogD (pH = 7.4): 1.526513
• Log P: 2.4666612
• Molar Refractivity: 101.4138 cm^3
• Polarizability: 40.153194 Å^3
• Polar Surface Area: 113.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - D292595

An impurity of Glipizide (G410225).