N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(3-hydroxypropyl)sulfamoyl]benzamide

• ChemBase ID: 462486
• Molecular Formular: C15H20N4O5S
• Molecular Mass: 368.4081
• Monoisotopic Mass: 368.11544076
• SMILES: S(=O)(=O)(c1cc(C(=O)NCc2nc(on2)CC)ccc1)NCCCO
• Canonical SMILES: OCCCNS(=O)(=O)c1cccc(c1)C(=O)NCc1noc(n1)CC
• InChI: InChI=1S/C15H20N4O5S/c1-2-14-18-13(19-24-14)10-16-15(21)11-5-3-6-12(9-11)25(22,23)17-7-4-8-20/h3,5-6,9,17,20H,2,4,7-8,10H2,1H3,(H,16,21)
• InChIKey: PDCCTQOSJWXUHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(3-hydroxypropyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(3-hydroxypropyl)sulfamoyl]benzamide
• Synonyms: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-{[(3-hydroxypropyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.883354
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 0.14715162
• LogD (pH = 7.4): 0.14586632
• Log P: 0.14716811
• Molar Refractivity: 92.0524 cm^3
• Polarizability: 34.89829 Å^3
• Polar Surface Area: 134.42 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 3
• Log P: -0.17
• LOG S: -3.05
• Polar Surface Area: 134.42 Å^2
• Rotatable Bonds: 8