3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide

C21H23F3N2O3S — CID 22315114

IUPAC3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc1
InChIInChI=1S/C21H23F3N2O3S/c1-14-6-11-19(25-13-14)26-20(27)18(12-15-4-2-3-5-15)16-7-9-17(10-8-16)30(28,29)21(22,23)24/h6-11,13,15,18H,2-5,12H2,1H3,(H,25,26,27)
InChIKeyHEQPQBUWULUJPP-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.99
Rot. Bonds6

About 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide

3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide (PubChem CID 22315114) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide
PubChem CID22315114
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC Name3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc1
InChIInChI=1S/C21H23F3N2O3S/c1-14-6-11-19(25-13-14)26-20(27)18(12-15-4-2-3-5-15)16-7-9-17(10-8-16)30(28,29)21(22,23)24/h6-11,13,15,18H,2-5,12H2,1H3,(H,25,26,27)
InChIKeyHEQPQBUWULUJPP-UHFFFAOYSA-N
XLogP4.99
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide (CID 22315114) is 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide is Cc1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc1.
What is the InChIKey of 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide?
The InChIKey is HEQPQBUWULUJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-14-6-11-19(25-13-14)26-20(27)18(12-15-4-2-3-5-15)16-7-9-17(10-8-16)30(28,29)21(22,23)24/h6-11,13,15,18H,2-5,12H2,1H3,(H,25,26,27).
What are the key properties of 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide?
3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide has a molecular weight of 440.49 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 22315114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).