2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C15H19F3N2O3S — CID 113148963

IUPAC2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C15H19F3N2O3S/c1-24(22,23)20(13-7-2-3-8-13)10-14(21)19-12-6-4-5-11(9-12)15(16,17)18/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,21)
InChIKeySEJIASWPIUOJGI-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.85
Rot. Bonds5

About 2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 113148963) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID113148963
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC Name2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C15H19F3N2O3S/c1-24(22,23)20(13-7-2-3-8-13)10-14(21)19-12-6-4-5-11(9-12)15(16,17)18/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,21)
InChIKeySEJIASWPIUOJGI-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1132545
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
methyl 3-[[2-[cycloheptyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113153154
2-[cyclopentyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113148921
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113150198
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
2-[cycloheptyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113153145
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1100011

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 113148963) is 2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SEJIASWPIUOJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c1-24(22,23)20(13-7-2-3-8-13)10-14(21)19-12-6-4-5-11(9-12)15(16,17)18/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,19,21).
What are the key properties of 2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 364.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113148963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).