2-phenylsulfanyl-N-pyridin-4-ylacetamide

C13H12N2OS — CID 808415

IUPAC2-phenylsulfanyl-N-pyridin-4-ylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccncc1
InChIInChI=1S/C13H12N2OS/c16-13(15-11-6-8-14-9-7-11)10-17-12-4-2-1-3-5-12/h1-9H,10H2,(H,14,15,16)
InChIKeyTVFYMBNKTIXCGE-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.81
Rot. Bonds4

About 2-phenylsulfanyl-N-pyridin-4-ylacetamide

2-phenylsulfanyl-N-pyridin-4-ylacetamide (PubChem CID 808415) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-pyridin-4-ylacetamide
PubChem CID808415
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-phenylsulfanyl-N-pyridin-4-ylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccncc1
InChIInChI=1S/C13H12N2OS/c16-13(15-11-6-8-14-9-7-11)10-17-12-4-2-1-3-5-12/h1-9H,10H2,(H,14,15,16)
InChIKeyTVFYMBNKTIXCGE-UHFFFAOYSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Pyridin-4-ylacetamide
CID 21288
4-(((Pyridin-3-yl)methyl)sulfanyl)aniline
CID 3642065
N-(4-Pyridinyl)-2-thiophenecarboxamide
CID 676266
N-(4-fluoro-3-nitrophenyl)-2-(pyridin-2-ylthio)acetamide
CID 2059919
2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
ST4014630
CID 684061
N-cyclopentyl-2-(pyridin-2-ylsulfanyl)acetamide
CID 2303967
N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenylacetamide
CID 2342406
N-cyclohexyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2413718
N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide
CID 8813525
N-cyclopentyl-2-pyridin-2-ylsulfanylpropanamide
CID 16312597
2-(pyridin-2-ylsulfanyl)-N-(4-sulfamoylphenyl)acetamide
CID 647669

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-pyridin-4-ylacetamide?
The IUPAC name of 2-phenylsulfanyl-N-pyridin-4-ylacetamide (CID 808415) is 2-phenylsulfanyl-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-phenylsulfanyl-N-pyridin-4-ylacetamide is O=C(CSc1ccccc1)Nc1ccncc1.
What is the InChIKey of 2-phenylsulfanyl-N-pyridin-4-ylacetamide?
The InChIKey is TVFYMBNKTIXCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-13(15-11-6-8-14-9-7-11)10-17-12-4-2-1-3-5-12/h1-9H,10H2,(H,14,15,16).
What are the key properties of 2-phenylsulfanyl-N-pyridin-4-ylacetamide?
2-phenylsulfanyl-N-pyridin-4-ylacetamide has a molecular weight of 244.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-pyridin-4-ylacetamide is sourced from PubChem (CID 808415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).