3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide

C25H25F3N2O3S — CID 10300058

IUPAC3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1C(F)(F)F
InChIInChI=1S/C25H25F3N2O3S/c1-34(32,33)22-12-10-18(15-20(22)25(26,27)28)19(14-16-6-2-3-7-16)24(31)30-23-13-11-17-8-4-5-9-21(17)29-23/h4-5,8-13,15-16,19H,2-3,6-7,14H2,1H3,(H,29,30,31)
InChIKeyAINFUXAHGYCNSQ-UHFFFAOYSA-N
MW490.55 g/mol
LogP5.96
Rot. Bonds6

About 3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide

3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide (PubChem CID 10300058) has the molecular formula C25H25F3N2O3S and a molecular weight of 490.55 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide
PubChem CID10300058
Molecular FormulaC25H25F3N2O3S
Molecular Weight490.55 g/mol
Exact Mass490.15
IUPAC Name3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1C(F)(F)F
InChIInChI=1S/C25H25F3N2O3S/c1-34(32,33)22-12-10-18(15-20(22)25(26,27)28)19(14-16-6-2-3-7-16)24(31)30-23-13-11-17-8-4-5-9-21(17)29-23/h4-5,8-13,15-16,19H,2-3,6-7,14H2,1H3,(H,29,30,31)
InChIKeyAINFUXAHGYCNSQ-UHFFFAOYSA-N
XLogP5.96
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide
CID 10276120
3-cyclohexyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanoic acid
CID 22315128
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide
CID 22315256
N-(1,3-benzothiazol-2-yl)-2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
CID 10279026
3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanoic acid;2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanamide
CID 158637658
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
CID 23394564
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-2-ylpropanamide
CID 22315196
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)propanamide
CID 24889669
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide
CID 67189693
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-4-ylpropanamide
CID 22315215
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]propanamide
CID 71169865
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide (CID 10300058) is 3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1C(F)(F)F.
What is the InChIKey of 3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide?
The InChIKey is AINFUXAHGYCNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3S/c1-34(32,33)22-12-10-18(15-20(22)25(26,27)28)19(14-16-6-2-3-7-16)24(31)30-23-13-11-17-8-4-5-9-21(17)29-23/h4-5,8-13,15-16,19H,2-3,6-7,14H2,1H3,(H,29,30,31).
What are the key properties of 3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide?
3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide has a molecular weight of 490.55 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide is sourced from PubChem (CID 10300058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).