N-methyl-4-sulfamoyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

• ChemBase ID: 690648
• Molecular Formular: C15H22N2O3S
• Molecular Mass: 310.41178
• Monoisotopic Mass: 310.13511357
• SMILES: S(=O)(=O)(N)CCCC(=O)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)CCCS(=O)(=O)N
• InChI: InChI=1S/C15H22N2O3S/c1-17(15(18)10-5-11-21(16,19)20)14-9-4-7-12-6-2-3-8-13(12)14/h2-3,6,8,14H,4-5,7,9-11H2,1H3,(H2,16,19,20)
• InChIKey: BTFRRUJZPHVTLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-sulfamoyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
• IUPAC Traditional name: N-methyl-4-sulfamoyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
• Synonyms: 4-(aminosulfonyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.700947
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.97427213
• LogD (pH = 7.4): 0.97425324
• Log P: 0.9742725
• Molar Refractivity: 82.1397 cm^3
• Polarizability: 32.628746 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.07
• LOG S: -2.38
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 5