4-(propylsulfamoyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

• ChemBase ID: 692226
• Molecular Formular: C15H19N3O3S2
• Molecular Mass: 353.45966
• Monoisotopic Mass: 353.08678348
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC(c2nccs2)C)cc1)NCCC
• Canonical SMILES: CCCNS(=O)(=O)c1ccc(cc1)C(=O)NC(c1nccs1)C
• InChI: InChI=1S/C15H19N3O3S2/c1-3-8-17-23(20,21)13-6-4-12(5-7-13)14(19)18-11(2)15-16-9-10-22-15/h4-7,9-11,17H,3,8H2,1-2H3,(H,18,19)
• InChIKey: CGEHSMNUWKNKDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propylsulfamoyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(propylsulfamoyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
• Synonyms: 4-[(propylamino)sulfonyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.896053
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7816116
• LogD (pH = 7.4): 1.7805681
• Log P: 1.781796
• Molar Refractivity: 90.0022 cm^3
• Polarizability: 35.080433 Å^3
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.5
• LOG S: -3.91
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 6