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

C14H14N4O4S — CID 32508024

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCNC(=O)NC(=O)COC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C14H14N4O4S/c1-15-14(21)18-11(19)7-22-13(20)8-23-12-6-16-9-4-2-3-5-10(9)17-12/h2-6H,7-8H2,1H3,(H2,15,18,19,21)
InChIKeySXQKPFKWZFLPSI-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.72
Rot. Bonds5

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

[2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate (PubChem CID 32508024) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
PubChem CID32508024
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCNC(=O)NC(=O)COC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C14H14N4O4S/c1-15-14(21)18-11(19)7-22-13(20)8-23-12-6-16-9-4-2-3-5-10(9)17-12/h2-6H,7-8H2,1H3,(H2,15,18,19,21)
InChIKeySXQKPFKWZFLPSI-UHFFFAOYSA-N
XLogP0.72
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794265
[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-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 33329578
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794173
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2502347
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 34959262
N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide
CID 4054386
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175203
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-quinoxalin-2-ylsulfanylacetate
CID 24530851
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate (CID 32508024) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate is CNC(=O)NC(=O)COC(=O)CSc1cnc2ccccc2n1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The InChIKey is SXQKPFKWZFLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-15-14(21)18-11(19)7-22-13(20)8-23-12-6-16-9-4-2-3-5-10(9)17-12/h2-6H,7-8H2,1H3,(H2,15,18,19,21).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate has a molecular weight of 334.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate is sourced from PubChem (CID 32508024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).