N-(4-{1-[2-(dimethylsulfamoyl)ethyl]-1H-imidazol-2-yl}phenyl)acetamide

• ChemBase ID: 604935
• Molecular Formular: C15H20N4O3S
• Molecular Mass: 336.4093
• Monoisotopic Mass: 336.12561152
• SMILES: S(=O)(=O)(CCn1c(ncc1)c1ccc(NC(=O)C)cc1)N(C)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)c1nccn1CCS(=O)(=O)N(C)C
• InChI: InChI=1S/C15H20N4O3S/c1-12(20)17-14-6-4-13(5-7-14)15-16-8-9-19(15)10-11-23(21,22)18(2)3/h4-9H,10-11H2,1-3H3,(H,17,20)
• InChIKey: NJGJDSCICJEUAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{1-[2-(dimethylsulfamoyl)ethyl]-1H-imidazol-2-yl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{1-[2-(dimethylsulfamoyl)ethyl]imidazol-2-yl}phenyl)acetamide
• Synonyms: N-[4-(1-{2-[(dimethylamino)sulfonyl]ethyl}-1H-imidazol-2-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.005821
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.36904818
• LogD (pH = 7.4): 0.21165039
• Log P: 0.23369937
• Molar Refractivity: 99.8892 cm^3
• Polarizability: 34.97992 Å^3
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.72
• LOG S: -2.27
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 5