N-[2-(4-methoxybenzenesulfonamido)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 363345
• Molecular Formular: C15H19N3O4S2
• Molecular Mass: 369.45906
• Monoisotopic Mass: 369.0816981
• SMILES: S(=O)(=O)(c1ccc(cc1)OC)NCCNC(=O)Cc1nc(sc1)C
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)NCCNC(=O)Cc1csc(n1)C
• InChI: InChI=1S/C15H19N3O4S2/c1-11-18-12(10-23-11)9-15(19)16-7-8-17-24(20,21)14-5-3-13(22-2)4-6-14/h3-6,10,17H,7-9H2,1-2H3,(H,16,19)
• InChIKey: WPZLLOZQIGCORM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxybenzenesulfonamido)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-[2-(4-methoxybenzenesulfonamido)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-(2-{[(4-methoxyphenyl)sulfonyl]amino}ethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.449537
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6678297
• LogD (pH = 7.4): 0.6688316
• Log P: 0.66919184
• Molar Refractivity: 90.9684 cm^3
• Polarizability: 35.92851 Å^3
• Polar Surface Area: 97.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.0
• LOG S: -2.75
• Polar Surface Area: 97.39 Å^2
• Rotatable Bonds: 7