2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide

C13H9F3N2OS — CID 16530327

IUPAC2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H9F3N2OS/c14-8-4-5-9(13(16)12(8)15)18-10(19)7-20-11-3-1-2-6-17-11/h1-6H,7H2,(H,18,19)
InChIKeyPBBUBVPQOAJEND-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.23
Rot. Bonds4

About 2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide

2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 16530327) has the molecular formula C13H9F3N2OS and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID16530327
Molecular FormulaC13H9F3N2OS
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC Name2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H9F3N2OS/c14-8-4-5-9(13(16)12(8)15)18-10(19)7-20-11-3-1-2-6-17-11/h1-6H,7H2,(H,18,19)
InChIKeyPBBUBVPQOAJEND-UHFFFAOYSA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 18077302
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 106679095
methyl 2-fluoro-5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate
CID 3691695
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 3877586
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 3627095
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 9347617
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 9454427
N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 8813692

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide (CID 16530327) is 2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide is O=C(CSc1ccccn1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is PBBUBVPQOAJEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2OS/c14-8-4-5-9(13(16)12(8)15)18-10(19)7-20-11-3-1-2-6-17-11/h1-6H,7H2,(H,18,19).
What are the key properties of 2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide?
2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 298.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 16530327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).