N-methyl-3-[(oxolan-3-yl)sulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide

• ChemBase ID: 575119
• Molecular Formular: C16H19N3O4S2
• Molecular Mass: 381.46976
• Monoisotopic Mass: 381.0816981
• SMILES: S(=O)(=O)(NC1CCOC1)c1cc(C(=O)N(Cc2nccs2)C)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)S(=O)(=O)NC1COCC1)Cc1nccs1
• InChI: InChI=1S/C16H19N3O4S2/c1-19(10-15-17-6-8-24-15)16(20)12-3-2-4-14(9-12)25(21,22)18-13-5-7-23-11-13/h2-4,6,8-9,13,18H,5,7,10-11H2,1H3
• InChIKey: OZVFWQUFNRHVSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-[(oxolan-3-yl)sulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
• IUPAC Traditional name: N-methyl-3-[(oxolan-3-yl)sulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
• Synonyms: N-methyl-3-[(tetrahydrofuran-3-ylamino)sulfonyl]-N-(1,3-thiazol-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.863575
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.45839348
• LogD (pH = 7.4): 0.45728067
• Log P: 0.45860377
• Molar Refractivity: 94.7425 cm^3
• Polarizability: 36.932186 Å^3
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.39
• LOG S: -2.31
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 5