N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(thiophene-2-sulfonamido)acetamide

• ChemBase ID: 768361
• Molecular Formular: C13H16N4O3S2
• Molecular Mass: 340.42114
• Monoisotopic Mass: 340.06638239
• SMILES: S(=O)(=O)(c1sccc1)NCC(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CNS(=O)(=O)c1cccs1
• InChI: InChI=1S/C13H16N4O3S2/c18-12(9-15-22(19,20)13-5-3-7-21-13)16-11-8-14-10-4-1-2-6-17(10)11/h3,5,7-8,15H,1-2,4,6,9H2,(H,16,18)
• InChIKey: AGOZXKYKTQOZHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(thiophene-2-sulfonamido)acetamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(thiophene-2-sulfonamido)acetamide
• Synonyms: N~1~-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N~2~-(2-thienylsulfonyl)glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.772548
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.023345929
• LogD (pH = 7.4): 0.6051206
• Log P: 0.65080917
• Molar Refractivity: 82.782 cm^3
• Polarizability: 32.20081 Å^3
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.77
• LOG S: -2.34
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 4