[2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate

C19H20N2O4S — CID 2378827

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)CCSc2ccccc2)cc1
InChIInChI=1S/C19H20N2O4S/c1-14(22)20-15-7-9-16(10-8-15)21-18(23)13-25-19(24)11-12-26-17-5-3-2-4-6-17/h2-10H,11-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyUAOSJTRGMOUVFZ-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.31
Rot. Bonds8

About [2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate

[2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate (PubChem CID 2378827) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
PubChem CID2378827
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)CCSc2ccccc2)cc1
InChIInChI=1S/C19H20N2O4S/c1-14(22)20-15-7-9-16(10-8-15)21-18(23)13-25-19(24)11-12-26-17-5-3-2-4-6-17/h2-10H,11-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyUAOSJTRGMOUVFZ-UHFFFAOYSA-N
XLogP3.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-Methylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2433040
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616604
N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
1-Oxo-1-(phenylamino)-3-(phenylsulfonyl)butan-2-yl acetate
CID 663942
[2-Oxo-2-(2-phenylsulfanylanilino)ethyl] cyclopropanecarboxylate
CID 2128872
[2-(4-Acetamidoanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2379693
[2-(2,5-Difluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2381508
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2604388
Propanoic acid, 2-methyl-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
CID 3348161
Butanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester
CID 4025697
Acetamide, 2-(acetyloxy)-N-[4-(2-phenyldiazenyl)phenyl]-
CID 4247073
2-(2-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 4792203

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate (CID 2378827) is [2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate is CC(=O)Nc1ccc(NC(=O)COC(=O)CCSc2ccccc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The InChIKey is UAOSJTRGMOUVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14(22)20-15-7-9-16(10-8-15)21-18(23)13-25-19(24)11-12-26-17-5-3-2-4-6-17/h2-10H,11-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate has a molecular weight of 372.45 g/mol, XLogP of 3.31, 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-phenylsulfanylpropanoate is sourced from PubChem (CID 2378827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).