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

C20H19N3O4S — CID 31867338

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCCOc1ccccc1NC(=O)COC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C20H19N3O4S/c1-2-26-17-10-6-5-9-16(17)22-18(24)12-27-20(25)13-28-19-11-21-14-7-3-4-8-15(14)23-19/h3-11H,2,12-13H2,1H3,(H,22,24)
InChIKeyCVDGCTCGBDGVOP-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.30
Rot. Bonds8

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

[2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate (PubChem CID 31867338) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
PubChem CID31867338
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCCOc1ccccc1NC(=O)COC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C20H19N3O4S/c1-2-26-17-10-6-5-9-16(17)22-18(24)12-27-20(25)13-28-19-11-21-14-7-3-4-8-15(14)23-19/h3-11H,2,12-13H2,1H3,(H,22,24)
InChIKeyCVDGCTCGBDGVOP-UHFFFAOYSA-N
XLogP3.30
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794265
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794173
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175331
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 33329578
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18268883
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 106678992

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate (CID 31867338) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate is CCOc1ccccc1NC(=O)COC(=O)CSc1cnc2ccccc2n1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The InChIKey is CVDGCTCGBDGVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-2-26-17-10-6-5-9-16(17)22-18(24)12-27-20(25)13-28-19-11-21-14-7-3-4-8-15(14)23-19/h3-11H,2,12-13H2,1H3,(H,22,24).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate has a molecular weight of 397.46 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate is sourced from PubChem (CID 31867338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).