N-(butan-2-yl)-2,4-dimethoxy-N-(thiophen-3-ylmethyl)benzamide

• ChemBase ID: 578474
• Molecular Formular: C18H23NO3S
• Molecular Mass: 333.44512
• Monoisotopic Mass: 333.1398646
• SMILES: C(=O)(c1c(cc(cc1)OC)OC)N(Cc1cscc1)C(CC)C
• Canonical SMILES: CCC(N(C(=O)c1ccc(cc1OC)OC)Cc1cscc1)C
• InChI: InChI=1S/C18H23NO3S/c1-5-13(2)19(11-14-8-9-23-12-14)18(20)16-7-6-15(21-3)10-17(16)22-4/h6-10,12-13H,5,11H2,1-4H3
• InChIKey: ZDIYQMVJXSTXKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-2,4-dimethoxy-N-(thiophen-3-ylmethyl)benzamide
• IUPAC Traditional name: 2,4-dimethoxy-N-(sec-butyl)-N-(thiophen-3-ylmethyl)benzamide
• Synonyms: N-(sec-butyl)-2,4-dimethoxy-N-(3-thienylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.756716
• LogD (pH = 7.4): 3.7567163
• Log P: 3.7567163
• Molar Refractivity: 93.266 cm^3
• Polarizability: 35.65134 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.06
• LOG S: -5.09
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7