N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide

C14H11N3OS — CID 684468

IUPACN-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESN#Cc1ccc(NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C14H11N3OS/c15-9-11-4-6-12(7-5-11)17-13(18)10-19-14-3-1-2-8-16-14/h1-8H,10H2,(H,17,18)
InChIKeyVFZKOIHFXLRELS-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.68
Rot. Bonds4

About N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide

N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 684468) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID684468
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESN#Cc1ccc(NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C14H11N3OS/c15-9-11-4-6-12(7-5-11)17-13(18)10-19-14-3-1-2-8-16-14/h1-8H,10H2,(H,17,18)
InChIKeyVFZKOIHFXLRELS-UHFFFAOYSA-N
XLogP2.68
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530316
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
4-(pyridin-2-ylsulfanylmethyl)benzonitrile
CID 4301223

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide (CID 684468) is N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide is N#Cc1ccc(NC(=O)CSc2ccccn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is VFZKOIHFXLRELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-9-11-4-6-12(7-5-11)17-13(18)10-19-14-3-1-2-8-16-14/h1-8H,10H2,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 269.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 684468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).