3-{methyl[2-(1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl}-N-(oxolan-3-yl)benzamide

• ChemBase ID: 764001
• Molecular Formular: C16H20N4O5S
• Molecular Mass: 380.4188
• Monoisotopic Mass: 380.11544076
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCOC2)ccc1)N(CCc1ncon1)C
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)N(CCc1nocn1)C)NC1COCC1
• InChI: InChI=1S/C16H20N4O5S/c1-20(7-5-15-17-11-25-19-15)26(22,23)14-4-2-3-12(9-14)16(21)18-13-6-8-24-10-13/h2-4,9,11,13H,5-8,10H2,1H3,(H,18,21)
• InChIKey: YGLBQYCFOQOIQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{methyl[2-(1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl}-N-(oxolan-3-yl)benzamide
• IUPAC Traditional name: 3-{methyl[2-(1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl}-N-(oxolan-3-yl)benzamide
• Synonyms: 3-({methyl[2-(1,2,4-oxadiazol-3-yl)ethyl]amino}sulfonyl)-N-(tetrahydrofuran-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.08099
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.1467629
• LogD (pH = 7.4): 0.14676294
• Log P: 0.14676303
• Molar Refractivity: 95.0333 cm^3
• Polarizability: 36.156662 Å^3
• Polar Surface Area: 114.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.0
• LOG S: -3.28
• Polar Surface Area: 114.63 Å^2
• Rotatable Bonds: 6