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

C22H19ClN2O3S — CID 22778580

IUPACN-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19ClN2O3S/c23-16-5-4-6-18(13-16)25-22(27)15-29-20-11-9-17(10-12-20)24-21(26)14-28-19-7-2-1-3-8-19/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyZYAPRKNDMHEHJA-UHFFFAOYSA-N
MW426.93 g/mol
LogP5.09
Rot. Bonds8

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

N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide (PubChem CID 22778580) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
PubChem CID22778580
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC NameN-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19ClN2O3S/c23-16-5-4-6-18(13-16)25-22(27)15-29-20-11-9-17(10-12-20)24-21(26)14-28-19-7-2-1-3-8-19/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyZYAPRKNDMHEHJA-UHFFFAOYSA-N
XLogP5.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.93
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905619
2-hydroxy-5-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 22782785
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22781306
3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 23098901
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19630696
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
CID 19318404
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634
2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 2949616
N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 23096407
N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905643
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide (CID 22778580) is N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The InChIKey is ZYAPRKNDMHEHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c23-16-5-4-6-18(13-16)25-22(27)15-29-20-11-9-17(10-12-20)24-21(26)14-28-19-7-2-1-3-8-19/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide has a molecular weight of 426.93 g/mol, XLogP of 5.09, 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-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 22778580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).