[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate

C18H18ClNO3S — CID 30390177

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
SMILESCCc1ccccc1NC(=O)COC(=O)CSc1ccccc1Cl
InChIInChI=1S/C18H18ClNO3S/c1-2-13-7-3-5-9-15(13)20-17(21)11-23-18(22)12-24-16-10-6-4-8-14(16)19/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyIHVQAAGHLHFLBV-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.18
Rot. Bonds7

About [2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate

[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate (PubChem CID 30390177) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
PubChem CID30390177
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
SMILESCCc1ccccc1NC(=O)COC(=O)CSc1ccccc1Cl
InChIInChI=1S/C18H18ClNO3S/c1-2-13-7-3-5-9-15(13)20-17(21)11-23-18(22)12-24-16-10-6-4-8-14(16)19/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyIHVQAAGHLHFLBV-UHFFFAOYSA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355317
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229656
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-(2-ethylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840983
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579246
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992380
2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1134166
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 42976920
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 30471131
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701692

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate (CID 30390177) is [2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate is CCc1ccccc1NC(=O)COC(=O)CSc1ccccc1Cl.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
The InChIKey is IHVQAAGHLHFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-2-13-7-3-5-9-15(13)20-17(21)11-23-18(22)12-24-16-10-6-4-8-14(16)19/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate?
[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate has a molecular weight of 363.87 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 30390177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).