N-(2-ethoxypropyl)-3-{methyl[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl}benzamide

• ChemBase ID: 400429
• Molecular Formular: C17H24N4O5S
• Molecular Mass: 396.46126
• Monoisotopic Mass: 396.14674089
• SMILES: S(=O)(=O)(N(Cc1nc(no1)C)C)c1cc(C(=O)NCC(OCC)C)ccc1
• Canonical SMILES: CCOC(CNC(=O)c1cccc(c1)S(=O)(=O)N(Cc1onc(n1)C)C)C
• InChI: InChI=1S/C17H24N4O5S/c1-5-25-12(2)10-18-17(22)14-7-6-8-15(9-14)27(23,24)21(4)11-16-19-13(3)20-26-16/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
• InChIKey: HMZKQBKJRUUVHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.975543
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.9938872
• LogD (pH = 7.4): 0.99388725
• Log P: 0.9938873
• Molar Refractivity: 101.3754 cm^3
• Polarizability: 38.61361 Å^3
• Polar Surface Area: 114.63 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.3
• LOG S: -3.2
• Polar Surface Area: 114.63 Å^2
• Rotatable Bonds: 8