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

C20H15ClN2O2S — CID 3601456

IUPACN-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H15ClN2O2S/c21-15-9-10-17(16(12-15)20(25)14-6-2-1-3-7-14)23-18(24)13-26-19-8-4-5-11-22-19/h1-12H,13H2,(H,23,24)
InChIKeyBCVYJGYSTBDEQM-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.70
Rot. Bonds6

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

N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 3601456) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID3601456
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H15ClN2O2S/c21-15-9-10-17(16(12-15)20(25)14-6-2-1-3-7-14)23-18(24)13-26-19-8-4-5-11-22-19/h1-12H,13H2,(H,23,24)
InChIKeyBCVYJGYSTBDEQM-UHFFFAOYSA-N
XLogP4.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide (CID 3601456) is N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is BCVYJGYSTBDEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c21-15-9-10-17(16(12-15)20(25)14-6-2-1-3-7-14)23-18(24)13-26-19-8-4-5-11-22-19/h1-12H,13H2,(H,23,24).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 382.87 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 3601456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).