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

• ChemBase ID: 823265
• Molecular Formular: C16H22N4O5S
• Molecular Mass: 382.43468
• Monoisotopic Mass: 382.13109082
• SMILES: S(=O)(=O)(N(Cc1nc(no1)CCOC)C)c1cc(C(=O)N(C)C)ccc1
• Canonical SMILES: COCCc1noc(n1)CN(S(=O)(=O)c1cccc(c1)C(=O)N(C)C)C
• InChI: InChI=1S/C16H22N4O5S/c1-19(2)16(21)12-6-5-7-13(10-12)26(22,23)20(3)11-15-17-14(18-25-15)8-9-24-4/h5-7,10H,8-9,11H2,1-4H3
• InChIKey: MHKPEJKLIIWEKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.5494719
• LogD (pH = 7.4): 0.54947203
• Log P: 0.54947203
• Molar Refractivity: 97.214 cm^3
• Polarizability: 36.788086 Å^3
• Polar Surface Area: 105.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.0
• LOG S: -3.3
• Polar Surface Area: 105.84 Å^2
• Rotatable Bonds: 7