N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide

C13H11ClN2OS — CID 708802

IUPACN-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2OS/c14-10-4-6-11(7-5-10)16-12(17)9-18-13-3-1-2-8-15-13/h1-8H,9H2,(H,16,17)
InChIKeySKDOBPMQLYLAJC-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.47
Rot. Bonds4

About N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide

N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 708802) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID708802
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC NameN-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2OS/c14-10-4-6-11(7-5-10)16-12(17)9-18-13-3-1-2-8-15-13/h1-8H,9H2,(H,16,17)
InChIKeySKDOBPMQLYLAJC-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide (CID 708802) is N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is SKDOBPMQLYLAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-10-4-6-11(7-5-10)16-12(17)9-18-13-3-1-2-8-15-13/h1-8H,9H2,(H,16,17).
What are the key properties of N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 278.76 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 708802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).