N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide

C15H13Cl2NO2S — CID 734040

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2S/c1-20-14-7-4-11(17)8-13(14)18-15(19)9-21-12-5-2-10(16)3-6-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyAMROKPOQUCNJMD-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.73
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 734040) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID734040
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2S/c1-20-14-7-4-11(17)8-13(14)18-15(19)9-21-12-5-2-10(16)3-6-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyAMROKPOQUCNJMD-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide (CID 734040) is N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is AMROKPOQUCNJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c1-20-14-7-4-11(17)8-13(14)18-15(19)9-21-12-5-2-10(16)3-6-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 342.25 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 734040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).