N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide

C23H21ClN2O3S — CID 22781306

IUPACN-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESCc1c(Cl)cccc1NC(=O)CSc1ccc(NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O3S/c1-16-20(24)8-5-9-21(16)26-23(28)15-30-19-12-10-17(11-13-19)25-22(27)14-29-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyOAGFIFJPMYIQLA-UHFFFAOYSA-N
MW440.95 g/mol
LogP5.40
Rot. Bonds8

About N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide

N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide (PubChem CID 22781306) has the molecular formula C23H21ClN2O3S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
PubChem CID22781306
Molecular FormulaC23H21ClN2O3S
Molecular Weight440.95 g/mol
Exact Mass440.10
IUPAC NameN-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESCc1c(Cl)cccc1NC(=O)CSc1ccc(NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O3S/c1-16-20(24)8-5-9-21(16)26-23(28)15-30-19-12-10-17(11-13-19)25-22(27)14-29-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyOAGFIFJPMYIQLA-UHFFFAOYSA-N
XLogP5.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19630696
2-(3-acetamidophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 964555
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 18288638
4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide
CID 1191658
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 7699071
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 679560
N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905643
2-hydroxy-5-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 22782785
2-(3-aminophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 39107715

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide (CID 22781306) is N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide is Cc1c(Cl)cccc1NC(=O)CSc1ccc(NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The InChIKey is OAGFIFJPMYIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S/c1-16-20(24)8-5-9-21(16)26-23(28)15-30-19-12-10-17(11-13-19)25-22(27)14-29-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide has a molecular weight of 440.95 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 22781306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).