[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate

C18H16ClNO4S — CID 2524577

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H16ClNO4S/c1-12(21)13-3-2-4-15(9-13)20-17(22)10-24-18(23)11-25-16-7-5-14(19)6-8-16/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyNDMWPVDUFJHCRX-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.82
Rot. Bonds7

About [2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate

[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate (PubChem CID 2524577) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
PubChem CID2524577
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H16ClNO4S/c1-12(21)13-3-2-4-15(9-13)20-17(22)10-24-18(23)11-25-16-7-5-14(19)6-8-16/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyNDMWPVDUFJHCRX-UHFFFAOYSA-N
XLogP3.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840800
[2-(3-acetylanilino)-2-oxoethyl] propanoate
CID 7851353
[2-(3-acetylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 18293226
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547908
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547921
[2-(4-acetylanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 7191807
[2-(3-acetylanilino)-2-oxoethyl] (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9171557
[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 7191781
N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 2969914
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2524496
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 8947661

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate (CID 2524577) is [2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate is CC(=O)c1cccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The InChIKey is NDMWPVDUFJHCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c1-12(21)13-3-2-4-15(9-13)20-17(22)10-24-18(23)11-25-16-7-5-14(19)6-8-16/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate has a molecular weight of 377.85 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 2524577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).