2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide

C18H18F2N2OS — CID 59096998

IUPAC2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2OS/c19-14-9-8-12(11-15(14)20)17(24-13-5-1-2-6-13)18(23)22-16-7-3-4-10-21-16/h3-4,7-11,13,17H,1-2,5-6H2,(H,21,22,23)
InChIKeyLXDDQGCNOXDAHW-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.72
Rot. Bonds5

About 2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide

2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide (PubChem CID 59096998) has the molecular formula C18H18F2N2OS and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide
PubChem CID59096998
Molecular FormulaC18H18F2N2OS
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2OS/c19-14-9-8-12(11-15(14)20)17(24-13-5-1-2-6-13)18(23)22-16-7-3-4-10-21-16/h3-4,7-11,13,17H,1-2,5-6H2,(H,21,22,23)
InChIKeyLXDDQGCNOXDAHW-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide (CID 59096998) is 2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide is O=C(Nc1ccccn1)C(SC1CCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide?
The InChIKey is LXDDQGCNOXDAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2OS/c19-14-9-8-12(11-15(14)20)17(24-13-5-1-2-6-13)18(23)22-16-7-3-4-10-21-16/h3-4,7-11,13,17H,1-2,5-6H2,(H,21,22,23).
What are the key properties of 2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide?
2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide has a molecular weight of 348.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-2-(3,4-difluorophenyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 59096998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).