[2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate

C19H19ClN2O4S — CID 41483886

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)CCSc2ccccc2Cl)cc1
InChIInChI=1S/C19H19ClN2O4S/c1-13(23)21-14-6-8-15(9-7-14)22-18(24)12-26-19(25)10-11-27-17-5-3-2-4-16(17)20/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyNTOXAFFKOFOZBB-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.96
Rot. Bonds8

About [2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate

[2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate (PubChem CID 41483886) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
PubChem CID41483886
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)CCSc2ccccc2Cl)cc1
InChIInChI=1S/C19H19ClN2O4S/c1-13(23)21-14-6-8-15(9-7-14)22-18(24)12-26-19(25)10-11-27-17-5-3-2-4-16(17)20/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyNTOXAFFKOFOZBB-UHFFFAOYSA-N
XLogP3.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 4786408
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2379715
[2-[4-Chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 3285585
2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 4857878
(2-Anilino-2-oxoethyl) 3-(benzenesulfonyl)propanoate
CID 9362063
(2-Anilino-2-oxoethyl) 3-phenylsulfanylpropanoate
CID 2382834
(2-Anilino-2-oxoethyl) 2-(4-chlorophenyl)sulfanylacetate
CID 2524592
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 3640767
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 4803825
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-[(3-chlorophenyl)methylsulfanyl]acetate
CID 24686173
[2-(2,4-Difluoroanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 2357037
[2-[2-Chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 3462727

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate (CID 41483886) is [2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate is CC(=O)Nc1ccc(NC(=O)COC(=O)CCSc2ccccc2Cl)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
The InChIKey is NTOXAFFKOFOZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-13(23)21-14-6-8-15(9-7-14)22-18(24)12-26-19(25)10-11-27-17-5-3-2-4-16(17)20/h2-9H,10-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate has a molecular weight of 406.89 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate is sourced from PubChem (CID 41483886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).