N-(1-methoxypropan-2-yl)-3-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 862094
• Molecular Formular: C16H21N3O5S
• Molecular Mass: 367.42004
• Monoisotopic Mass: 367.12019179
• SMILES: S(=O)(=O)(N(Cc1nocc1)C)c1cc(C(=O)NC(COC)C)ccc1
• Canonical SMILES: COCC(NC(=O)c1cccc(c1)S(=O)(=O)N(Cc1ccon1)C)C
• InChI: InChI=1S/C16H21N3O5S/c1-12(11-23-3)17-16(20)13-5-4-6-15(9-13)25(21,22)19(2)10-14-7-8-24-18-14/h4-9,12H,10-11H2,1-3H3,(H,17,20)
• InChIKey: GLFKBVHSQPYQHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methoxypropan-2-yl)-3-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(1-methoxypropan-2-yl)-3-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide
• Synonyms: 3-{[(isoxazol-3-ylmethyl)(methyl)amino]sulfonyl}-N-(2-methoxy-1-methylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.085025
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6410348
• LogD (pH = 7.4): 0.6410349
• Log P: 0.641035
• Molar Refractivity: 92.9791 cm^3
• Polarizability: 35.860737 Å^3
• Polar Surface Area: 101.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.49
• LOG S: -2.3
• Polar Surface Area: 101.74 Å^2
• Rotatable Bonds: 7