2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide

C19H19F3N2OS — CID 10193987

IUPAC2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2OS/c20-19(21,22)14-10-8-13(9-11-14)17(26-15-5-1-2-6-15)18(25)24-16-7-3-4-12-23-16/h3-4,7-12,15,17H,1-2,5-6H2,(H,23,24,25)
InChIKeyQGYCOPVBSLTQSM-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.46
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide

2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 10193987) has the molecular formula C19H19F3N2OS and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID10193987
Molecular FormulaC19H19F3N2OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2OS/c20-19(21,22)14-10-8-13(9-11-14)17(26-15-5-1-2-6-15)18(25)24-16-7-3-4-12-23-16/h3-4,7-12,15,17H,1-2,5-6H2,(H,23,24,25)
InChIKeyQGYCOPVBSLTQSM-UHFFFAOYSA-N
XLogP5.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 10193987) is 2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QGYCOPVBSLTQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2OS/c20-19(21,22)14-10-8-13(9-11-14)17(26-15-5-1-2-6-15)18(25)24-16-7-3-4-12-23-16/h3-4,7-12,15,17H,1-2,5-6H2,(H,23,24,25).
What are the key properties of 2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide?
2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 10193987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).