N-cyclopentyl-3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide

• ChemBase ID: 576893
• Molecular Formular: C16H23N5OS
• Molecular Mass: 333.45172
• Monoisotopic Mass: 333.16233138
• SMILES: n1nn(c(n1)C)CCC(=O)N(Cc1c(ccs1)C)C1CCCC1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1sccc1C)CCn1nnnc1C
• InChI: InChI=1S/C16H23N5OS/c1-12-8-10-23-15(12)11-20(14-5-3-4-6-14)16(22)7-9-21-13(2)17-18-19-21/h8,10,14H,3-7,9,11H2,1-2H3
• InChIKey: XMOLVXWYXALYNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
• IUPAC Traditional name: N-cyclopentyl-3-(5-methyl-1,2,3,4-tetrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
• Synonyms: N-cyclopentyl-3-(5-methyl-1H-tetrazol-1-yl)-N-[(3-methyl-2-thienyl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.336659
• LogD (pH = 7.4): 2.3366597
• Log P: 2.3366597
• Molar Refractivity: 103.3318 cm^3
• Polarizability: 34.25182 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.85
• LOG S: -4.07
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 6