[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate

C19H18ClNO4S — CID 7821261

IUPAC[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClNO4S/c1-12(22)14-3-7-16(8-4-14)21-18(23)11-25-19(24)13(2)26-17-9-5-15(20)6-10-17/h3-10,13H,11H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyLVEHVIKOGTUFSS-ZDUSSCGKSA-N
MW391.88 g/mol
LogP4.21
Rot. Bonds7

About [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate

[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate (PubChem CID 7821261) has the molecular formula C19H18ClNO4S and a molecular weight of 391.88 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate
PubChem CID7821261
Molecular FormulaC19H18ClNO4S
Molecular Weight391.88 g/mol
Exact Mass391.06
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClNO4S/c1-12(22)14-3-7-16(8-4-14)21-18(23)11-25-19(24)13(2)26-17-9-5-15(20)6-10-17/h3-10,13H,11H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyLVEHVIKOGTUFSS-ZDUSSCGKSA-N
XLogP4.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate with MolForge

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821284
[2-[4-(dimethylamino)anilino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821142
[2-(4-acetylanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 7191807
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821134
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821141
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806441
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806440
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867019
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133431
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821289
[2-(4-cyanoanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806738
methyl 4-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 970587

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate (CID 7821261) is [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate is CC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate?
The InChIKey is LVEHVIKOGTUFSS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18ClNO4S/c1-12(22)14-3-7-16(8-4-14)21-18(23)11-25-19(24)13(2)26-17-9-5-15(20)6-10-17/h3-10,13H,11H2,1-2H3,(H,21,23)/t13-/m0/s1.
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate?
[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate has a molecular weight of 391.88 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate is sourced from PubChem (CID 7821261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).