N-{[4-(dimethylsulfamoyl)phenyl]methyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 722184
• Molecular Formular: C15H20N4O5S
• Molecular Mass: 368.4081
• Monoisotopic Mass: 368.11544076
• SMILES: S(=O)(=O)(c1ccc(CNC(=O)CCC2C(=O)NC(=O)N2)cc1)N(C)C
• Canonical SMILES: O=C(NCc1ccc(cc1)S(=O)(=O)N(C)C)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C15H20N4O5S/c1-19(2)25(23,24)11-5-3-10(4-6-11)9-16-13(20)8-7-12-14(21)18-15(22)17-12/h3-6,12H,7-9H2,1-2H3,(H,16,20)(H2,17,18,21,22)
• InChIKey: UORFWAZHEUFMSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(dimethylsulfamoyl)phenyl]methyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-{[4-(dimethylsulfamoyl)phenyl]methyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: N-{4-[(dimethylamino)sulfonyl]benzyl}-3-(2,5-dioxo-4-imidazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.634948
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.040049
• LogD (pH = 7.4): -1.0425097
• Log P: -1.0400175
• Molar Refractivity: 89.6132 cm^3
• Polarizability: 35.221554 Å^3
• Polar Surface Area: 124.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -1.48
• LOG S: -1.93
• Polar Surface Area: 124.68 Å^2
• Rotatable Bonds: 6