2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide

C23H27F3N2O3S — CID 142018487

IUPAC2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide
SMILESCCC(CC1CCCC1)(C(=O)Nc1ccccn1)c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C23H27F3N2O3S/c1-3-22(15-16-8-4-5-9-16,21(29)28-20-10-6-7-13-27-20)17-11-12-19(32(2,30)31)18(14-17)23(24,25)26/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3,(H,27,28,29)
InChIKeyGPICRODPBZLEEH-UHFFFAOYSA-N
MW468.54 g/mol
LogP5.37
Rot. Bonds7

About 2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide

2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide (PubChem CID 142018487) has the molecular formula C23H27F3N2O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide
PubChem CID142018487
Molecular FormulaC23H27F3N2O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC Name2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide
SMILESCCC(CC1CCCC1)(C(=O)Nc1ccccn1)c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1
InChIInChI=1S/C23H27F3N2O3S/c1-3-22(15-16-8-4-5-9-16,21(29)28-20-10-6-7-13-27-20)17-11-12-19(32(2,30)31)18(14-17)23(24,25)26/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3,(H,27,28,29)
InChIKeyGPICRODPBZLEEH-UHFFFAOYSA-N
XLogP5.37
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide
CID 142018497
3-cyclohexyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanoic acid
CID 22315128
1-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol
CID 127041532
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide
CID 71672608
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
CID 141213240
N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63536770
2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 120973639
3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanoic acid;2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propanamide
CID 158637658

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide?
The IUPAC name of 2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide (CID 142018487) is 2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide?
The canonical SMILES for 2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide is CCC(CC1CCCC1)(C(=O)Nc1ccccn1)c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1.
What is the InChIKey of 2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide?
The InChIKey is GPICRODPBZLEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3S/c1-3-22(15-16-8-4-5-9-16,21(29)28-20-10-6-7-13-27-20)17-11-12-19(32(2,30)31)18(14-17)23(24,25)26/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3,(H,27,28,29).
What are the key properties of 2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide?
2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide has a molecular weight of 468.54 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 142018487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).