[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate

C19H16N4O6S — CID 25039801

IUPAC[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3nccnc23)cc1
InChIInChI=1S/C19H16N4O6S/c1-12(24)23-30(27,28)14-7-5-13(6-8-14)22-17(25)11-29-19(26)15-3-2-4-16-18(15)21-10-9-20-16/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyCJAROGVYUCYZDI-UHFFFAOYSA-N
MW428.43 g/mol
LogP1.25
Rot. Bonds6

About [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate

[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate (PubChem CID 25039801) has the molecular formula C19H16N4O6S and a molecular weight of 428.43 g/mol. Its IUPAC name is [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate.

Molecular Properties

Compound Name[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate
PubChem CID25039801
Molecular FormulaC19H16N4O6S
Molecular Weight428.43 g/mol
Exact Mass428.08
IUPAC Name[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3nccnc23)cc1
InChIInChI=1S/C19H16N4O6S/c1-12(24)23-30(27,28)14-7-5-13(6-8-14)22-17(25)11-29-19(26)15-3-2-4-16-18(15)21-10-9-20-16/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyCJAROGVYUCYZDI-UHFFFAOYSA-N
XLogP1.25
TPSA144.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate
CID 71900631
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate
CID 23971613
[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 25035659
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497740
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-(4-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677388
[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate
CID 23971743
[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate
CID 23744438
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916006
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849964

Frequently Asked Questions

What is the IUPAC name of [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate?
The IUPAC name of [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate (CID 25039801) is [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate.
What is the SMILES notation for [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate?
The canonical SMILES for [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate is CC(=O)NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3nccnc23)cc1.
What is the InChIKey of [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate?
The InChIKey is CJAROGVYUCYZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O6S/c1-12(24)23-30(27,28)14-7-5-13(6-8-14)22-17(25)11-29-19(26)15-3-2-4-16-18(15)21-10-9-20-16/h2-10H,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate?
[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate has a molecular weight of 428.43 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate is sourced from PubChem (CID 25039801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).