2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

C15H20F2N2OS — CID 51271632

IUPAC2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1SC(F)F)C1CCCC1
InChIInChI=1S/C15H20F2N2OS/c1-19(11-6-2-3-7-11)10-14(20)18-12-8-4-5-9-13(12)21-15(16)17/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3,(H,18,20)
InChIKeyVPSDLXQZWZULSE-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.81
Rot. Bonds6

About 2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 51271632) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID51271632
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC Name2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1SC(F)F)C1CCCC1
InChIInChI=1S/C15H20F2N2OS/c1-19(11-6-2-3-7-11)10-14(20)18-12-8-4-5-9-13(12)21-15(16)17/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3,(H,18,20)
InChIKeyVPSDLXQZWZULSE-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-[2-(difluoromethylsulfanyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18196296
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 40706173
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55606291
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
1-(2-cyclopropyl-2-hydroxyethyl)-3-[2-(difluoromethylsulfanyl)phenyl]-1-methylurea
CID 111859091
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18191491
N-(2-acetylphenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 30891872

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (CID 51271632) is 2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1SC(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is VPSDLXQZWZULSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-19(11-6-2-3-7-11)10-14(20)18-12-8-4-5-9-13(12)21-15(16)17/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3,(H,18,20).
What are the key properties of 2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 314.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 51271632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).