N-{2-[2-methyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-1-yl]ethyl}cyclopropanecarboxamide

• ChemBase ID: 601217
• Molecular Formular: C18H24N4O4S
• Molecular Mass: 392.47256
• Monoisotopic Mass: 392.15182627
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc2nc(n(c2cc1)CCNC(=O)C1CC1)C
• Canonical SMILES: O=C(C1CC1)NCCn1c(C)nc2c1ccc(c2)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C18H24N4O4S/c1-13-20-16-12-15(27(24,25)21-8-10-26-11-9-21)4-5-17(16)22(13)7-6-19-18(23)14-2-3-14/h4-5,12,14H,2-3,6-11H2,1H3,(H,19,23)
• InChIKey: UPFFHGXBJREYND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-methyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-1-yl]ethyl}cyclopropanecarboxamide
• IUPAC Traditional name: N-{2-[2-methyl-5-(morpholine-4-sulfonyl)-1,3-benzodiazol-1-yl]ethyl}cyclopropanecarboxamide
• Synonyms: N-{2-[2-methyl-5-(morpholin-4-ylsulfonyl)-1H-benzimidazol-1-yl]ethyl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.8342285
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.18213905
• LogD (pH = 7.4): 0.24196294
• Log P: 0.24278626
• Molar Refractivity: 100.1245 cm^3
• Polarizability: 40.574383 Å^3
• Polar Surface Area: 93.53 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: 0.24
• LOG S: -2.71
• Polar Surface Area: 93.53 Å^2
• Rotatable Bonds: 5