N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide

• ChemBase ID: 578875
• Molecular Formular: C15H19N3O4S
• Molecular Mass: 337.39406
• Monoisotopic Mass: 337.1096271
• SMILES: S(=O)(=O)(N)CCCC(=O)N(Cc1cc(no1)c1ccccc1)C
• Canonical SMILES: CN(C(=O)CCCS(=O)(=O)N)Cc1onc(c1)c1ccccc1
• InChI: InChI=1S/C15H19N3O4S/c1-18(15(19)8-5-9-23(16,20)21)11-13-10-14(17-22-13)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H2,16,20,21)
• InChIKey: JWUULJZRTDRTOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide
• IUPAC Traditional name: N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide
• Synonyms: 4-(aminosulfonyl)-N-methyl-N-[(3-phenyl-5-isoxazolyl)methyl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.700947
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.30310112
• LogD (pH = 7.4): 0.30308256
• Log P: 0.3031018
• Molar Refractivity: 86.0416 cm^3
• Polarizability: 34.849617 Å^3
• Polar Surface Area: 106.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.48
• LOG S: -2.56
• Polar Surface Area: 106.5 Å^2
• Rotatable Bonds: 7