2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide

C13H12N2OS — CID 57038231

IUPAC2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide
SMILESNC(=O)C(S)(c1ccccc1)c1ccccn1
InChIInChI=1S/C13H12N2OS/c14-12(16)13(17,10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,17H,(H2,14,16)
InChIKeyAGAXSUDMYBHXOY-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.74
Rot. Bonds3

About 2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide

2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide (PubChem CID 57038231) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide.

Molecular Properties

Compound Name2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide
PubChem CID57038231
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide
SMILESNC(=O)C(S)(c1ccccc1)c1ccccn1
InChIInChI=1S/C13H12N2OS/c14-12(16)13(17,10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,17H,(H2,14,16)
InChIKeyAGAXSUDMYBHXOY-UHFFFAOYSA-N
XLogP1.74
TPSA55.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate
CID 102184338
2-(2,2-dimethylpropyl)-4,4-dimethyl-2-pyridin-2-ylpentanamide
CID 3054960
2-[dichloro(phenyl)methyl]pyridine
CID 25254083
2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
CID 70071240
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
CID 7018024
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine
CID 175305816
4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
CID 10315097

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide?
The IUPAC name of 2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide (CID 57038231) is 2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide.
What is the SMILES notation for 2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide?
The canonical SMILES for 2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide is NC(=O)C(S)(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide?
The InChIKey is AGAXSUDMYBHXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-12(16)13(17,10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,17H,(H2,14,16).
What are the key properties of 2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide?
2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide has a molecular weight of 244.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide is sourced from PubChem (CID 57038231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).