N-ethyl-3-({[1-(methoxymethyl)cyclopentyl]methyl}sulfamoyl)-N-methylbenzamide

• ChemBase ID: 729961
• Molecular Formular: C18H28N2O4S
• Molecular Mass: 368.49092
• Monoisotopic Mass: 368.17697839
• SMILES: S(=O)(=O)(c1cc(C(=O)N(CC)C)ccc1)NCC1(COC)CCCC1
• Canonical SMILES: COCC1(CCCC1)CNS(=O)(=O)c1cccc(c1)C(=O)N(CC)C
• InChI: InChI=1S/C18H28N2O4S/c1-4-20(2)17(21)15-8-7-9-16(12-15)25(22,23)19-13-18(14-24-3)10-5-6-11-18/h7-9,12,19H,4-6,10-11,13-14H2,1-3H3
• InChIKey: OTPAONZYSXLOSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-({[1-(methoxymethyl)cyclopentyl]methyl}sulfamoyl)-N-methylbenzamide
• IUPAC Traditional name: N-ethyl-3-({[1-(methoxymethyl)cyclopentyl]methyl}sulfamoyl)-N-methylbenzamide
• Synonyms: N-ethyl-3-[({[1-(methoxymethyl)cyclopentyl]methyl}amino)sulfonyl]-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.879996
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8678077
• LogD (pH = 7.4): 1.8665521
• Log P: 1.8678238
• Molar Refractivity: 98.801 cm^3
• Polarizability: 38.679832 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.62
• LOG S: -3.27
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7