2-phenylsulfanyl-N-pyridin-3-ylacetamide

C13H12N2OS — CID 801624

IUPAC2-phenylsulfanyl-N-pyridin-3-ylacetamide
SMILESO=C(CSc1ccccc1)Nc1cccnc1
InChIInChI=1S/C13H12N2OS/c16-13(15-11-5-4-8-14-9-11)10-17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)
InChIKeyQJNZVFBWTHHWQM-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.81
Rot. Bonds4

About 2-phenylsulfanyl-N-pyridin-3-ylacetamide

2-phenylsulfanyl-N-pyridin-3-ylacetamide (PubChem CID 801624) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-pyridin-3-ylacetamide
PubChem CID801624
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-phenylsulfanyl-N-pyridin-3-ylacetamide
SMILESO=C(CSc1ccccc1)Nc1cccnc1
InChIInChI=1S/C13H12N2OS/c16-13(15-11-5-4-8-14-9-11)10-17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)
InChIKeyQJNZVFBWTHHWQM-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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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-pyridin-3-ylacetamide?
The IUPAC name of 2-phenylsulfanyl-N-pyridin-3-ylacetamide (CID 801624) is 2-phenylsulfanyl-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-phenylsulfanyl-N-pyridin-3-ylacetamide is O=C(CSc1ccccc1)Nc1cccnc1.
What is the InChIKey of 2-phenylsulfanyl-N-pyridin-3-ylacetamide?
The InChIKey is QJNZVFBWTHHWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-13(15-11-5-4-8-14-9-11)10-17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16).
What are the key properties of 2-phenylsulfanyl-N-pyridin-3-ylacetamide?
2-phenylsulfanyl-N-pyridin-3-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-3-ylacetamide is sourced from PubChem (CID 801624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).