2-phenyl-2-pyridin-2-ylsulfanylacetamide

C13H12N2OS — CID 18136447

IUPAC2-phenyl-2-pyridin-2-ylsulfanylacetamide
SMILESNC(=O)C(Sc1ccccn1)c1ccccc1
InChIInChI=1S/C13H12N2OS/c14-13(16)12(10-6-2-1-3-7-10)17-11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)
InChIKeyRCASSAXPHBGWPA-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.40
Rot. Bonds4

About 2-phenyl-2-pyridin-2-ylsulfanylacetamide

2-phenyl-2-pyridin-2-ylsulfanylacetamide (PubChem CID 18136447) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-phenyl-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound Name2-phenyl-2-pyridin-2-ylsulfanylacetamide
PubChem CID18136447
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-phenyl-2-pyridin-2-ylsulfanylacetamide
SMILESNC(=O)C(Sc1ccccn1)c1ccccc1
InChIInChI=1S/C13H12N2OS/c14-13(16)12(10-6-2-1-3-7-10)17-11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)
InChIKeyRCASSAXPHBGWPA-UHFFFAOYSA-N
XLogP2.40
TPSA55.98 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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of 2-phenyl-2-pyridin-2-ylsulfanylacetamide (CID 18136447) is 2-phenyl-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for 2-phenyl-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for 2-phenyl-2-pyridin-2-ylsulfanylacetamide is NC(=O)C(Sc1ccccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is RCASSAXPHBGWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-13(16)12(10-6-2-1-3-7-10)17-11-8-4-5-9-15-11/h1-9,12H,(H2,14,16).
What are the key properties of 2-phenyl-2-pyridin-2-ylsulfanylacetamide?
2-phenyl-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 244.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 18136447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).