N-[2-(dimethylsulfamoyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 779158
• Molecular Formular: C12H16N4O3S
• Molecular Mass: 296.34544
• Monoisotopic Mass: 296.09431139
• SMILES: c1(nc2n(c1)cccc2)C(=O)NCCS(=O)(=O)N(C)C
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)NCCS(=O)(=O)N(C)C
• InChI: InChI=1S/C12H16N4O3S/c1-15(2)20(18,19)8-6-13-12(17)10-9-16-7-4-3-5-11(16)14-10/h3-5,7,9H,6,8H2,1-2H3,(H,13,17)
• InChIKey: APYYHPBITALZES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylsulfamoyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[2-(dimethylsulfamoyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-{2-[(dimethylamino)sulfonyl]ethyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.662353
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.89208883
• LogD (pH = 7.4): -0.8875749
• Log P: -0.887517
• Molar Refractivity: 75.5546 cm^3
• Polarizability: 28.892063 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.32
• LOG S: -2.94
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4