N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide

C13H10F2N2OS — CID 763188

IUPACN-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F2N2OS/c14-10-5-4-9(7-11(10)15)17-12(18)8-19-13-3-1-2-6-16-13/h1-7H,8H2,(H,17,18)
InChIKeyGKWAKMPUAUFVBN-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.09
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide

N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 763188) has the molecular formula C13H10F2N2OS and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID763188
Molecular FormulaC13H10F2N2OS
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC NameN-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F2N2OS/c14-10-5-4-9(7-11(10)15)17-12(18)8-19-13-3-1-2-6-16-13/h1-7H,8H2,(H,17,18)
InChIKeyGKWAKMPUAUFVBN-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-fluoro-5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate
CID 3691695
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 16530327
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 52803481
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530316

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide (CID 763188) is N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is GKWAKMPUAUFVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2OS/c14-10-5-4-9(7-11(10)15)17-12(18)8-19-13-3-1-2-6-16-13/h1-7H,8H2,(H,17,18).
What are the key properties of N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 280.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 763188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).