N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide

C16H14Cl3NO2S — CID 2353094

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO2S/c1-9-5-13(14(22-2)7-12(9)19)20-16(21)8-23-15-6-10(17)3-4-11(15)18/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyIYOMEVICVFKXQF-UHFFFAOYSA-N
MW390.72 g/mol
LogP5.69
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide (PubChem CID 2353094) has the molecular formula C16H14Cl3NO2S and a molecular weight of 390.72 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
PubChem CID2353094
Molecular FormulaC16H14Cl3NO2S
Molecular Weight390.72 g/mol
Exact Mass388.98
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO2S/c1-9-5-13(14(22-2)7-12(9)19)20-16(21)8-23-15-6-10(17)3-4-11(15)18/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyIYOMEVICVFKXQF-UHFFFAOYSA-N
XLogP5.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.72
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide (CID 2353094) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide is COc1cc(Cl)c(C)cc1NC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
The InChIKey is IYOMEVICVFKXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2S/c1-9-5-13(14(22-2)7-12(9)19)20-16(21)8-23-15-6-10(17)3-4-11(15)18/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide has a molecular weight of 390.72 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide is sourced from PubChem (CID 2353094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).