N-methyl-5-[1-(piperidin-1-yl)ethyl]-N-(thiophen-3-ylmethyl)furan-2-carboxamide

• ChemBase ID: 676605
• Molecular Formular: C18H24N2O2S
• Molecular Mass: 332.46036
• Monoisotopic Mass: 332.15584902
• SMILES: c1(oc(cc1)C(N1CCCCC1)C)C(=O)N(Cc1cscc1)C
• Canonical SMILES: CN(C(=O)c1ccc(o1)C(N1CCCCC1)C)Cc1cscc1
• InChI: InChI=1S/C18H24N2O2S/c1-14(20-9-4-3-5-10-20)16-6-7-17(22-16)18(21)19(2)12-15-8-11-23-13-15/h6-8,11,13-14H,3-5,9-10,12H2,1-2H3
• InChIKey: UUQRQUPYSJUFEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-[1-(piperidin-1-yl)ethyl]-N-(thiophen-3-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: N-methyl-5-[1-(piperidin-1-yl)ethyl]-N-(thiophen-3-ylmethyl)furan-2-carboxamide
• Synonyms: N-methyl-5-(1-piperidin-1-ylethyl)-N-(3-thienylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.46689954
• LogD (pH = 7.4): 2.2342737
• Log P: 2.964739
• Molar Refractivity: 94.0201 cm^3
• Polarizability: 35.64732 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.74
• LOG S: -3.96
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 5