[2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate

C24H18N2O4S — CID 4241691

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1
InChIInChI=1S/C24H18N2O4S/c1-16(27)17-10-12-19(13-11-17)26-23(28)15-30-24(29)20-7-3-5-9-22(20)31-21-8-4-2-6-18(21)14-25/h2-13H,15H2,1H3,(H,26,28)
InChIKeyLGOSHSYKYAALMV-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.71
Rot. Bonds7

About [2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate

[2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate (PubChem CID 4241691) has the molecular formula C24H18N2O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
PubChem CID4241691
Molecular FormulaC24H18N2O4S
Molecular Weight430.49 g/mol
Exact Mass430.10
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1
InChIInChI=1S/C24H18N2O4S/c1-16(27)17-10-12-19(13-11-17)26-23(28)15-30-24(29)20-7-3-5-9-22(20)31-21-8-4-2-6-18(21)14-25/h2-13H,15H2,1H3,(H,26,28)
InChIKeyLGOSHSYKYAALMV-UHFFFAOYSA-N
XLogP4.71
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-Oxo-2-(2-phenylsulfanylanilino)ethyl] 3-(dimethylamino)benzoate
CID 2079073
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2359389
[2-Oxo-2-(2-phenylsulfanylanilino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2400177
2-Anilinobenzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester
CID 2465640
[2-Oxo-2-(2-phenylanilino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2479978
[1-(4-Acetylanilino)-1-oxopropan-2-yl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 4025059
Ethyl 4-[({[2-oxo-2-(2-oxo-2-phenylethoxy)ethyl]sulfanyl}acetyl)amino]benzoate
CID 4527633
[2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 16526671
[2-[(3-Cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 18274031
[2-(3,5-Dimethylanilino)-2-oxo-1-phenylethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 24978929
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2348147
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 3625952

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate (CID 4241691) is [2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate is CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate?
The InChIKey is LGOSHSYKYAALMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S/c1-16(27)17-10-12-19(13-11-17)26-23(28)15-30-24(29)20-7-3-5-9-22(20)31-21-8-4-2-6-18(21)14-25/h2-13H,15H2,1H3,(H,26,28).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate?
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate has a molecular weight of 430.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate is sourced from PubChem (CID 4241691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).