[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate

C20H17N3O4S — CID 46794265

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C20H17N3O4S/c1-13(24)14-6-2-3-7-15(14)22-18(25)11-27-20(26)12-28-19-10-21-16-8-4-5-9-17(16)23-19/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyCEOACCROZFEGQS-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.11
Rot. Bonds7

About [2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate

[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate (PubChem CID 46794265) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
PubChem CID46794265
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C20H17N3O4S/c1-13(24)14-6-2-3-7-15(14)22-18(25)11-27-20(26)12-28-19-10-21-16-8-4-5-9-17(16)23-19/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyCEOACCROZFEGQS-UHFFFAOYSA-N
XLogP3.11
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 31867338
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 31661543
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794173
[2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 32508024
[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642247
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175331
[2-(2-acetylanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 2486754
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 33329578
[2-(2-acetylanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 42984349
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794172
[2-(2-acetylanilino)-2-oxoethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 41146568

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate (CID 46794265) is [2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate is CC(=O)c1ccccc1NC(=O)COC(=O)CSc1cnc2ccccc2n1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The InChIKey is CEOACCROZFEGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-13(24)14-6-2-3-7-15(14)22-18(25)11-27-20(26)12-28-19-10-21-16-8-4-5-9-17(16)23-19/h2-10H,11-12H2,1H3,(H,22,25).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate has a molecular weight of 395.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate is sourced from PubChem (CID 46794265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).