N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide

C13H11FN2OS — CID 2055031

IUPACN-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccccc1F
InChIInChI=1S/C13H11FN2OS/c14-10-5-1-2-6-11(10)16-12(17)9-18-13-7-3-4-8-15-13/h1-8H,9H2,(H,16,17)
InChIKeyVCWPYQBUIFTEFT-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.95
Rot. Bonds4

About N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide

N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2055031) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID2055031
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC NameN-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccccc1F
InChIInChI=1S/C13H11FN2OS/c14-10-5-1-2-6-11(10)16-12(17)9-18-13-7-3-4-8-15-13/h1-8H,9H2,(H,16,17)
InChIKeyVCWPYQBUIFTEFT-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide (CID 2055031) is N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is VCWPYQBUIFTEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c14-10-5-1-2-6-11(10)16-12(17)9-18-13-7-3-4-8-15-13/h1-8H,9H2,(H,16,17).
What are the key properties of N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 262.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2055031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).