[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate

C18H17N3O6S — CID 2416704

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate
SMILESO=C1CN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc2N1
InChIInChI=1S/C18H17N3O6S/c22-16-11-21(15-9-5-4-8-14(15)20-16)17(23)12-27-18(24)10-19-28(25,26)13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,20,22)
InChIKeyCRYXCNSZSGSPHE-UHFFFAOYSA-N
MW403.42 g/mol
LogP0.49
Rot. Bonds6

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate (PubChem CID 2416704) has the molecular formula C18H17N3O6S and a molecular weight of 403.42 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate
PubChem CID2416704
Molecular FormulaC18H17N3O6S
Molecular Weight403.42 g/mol
Exact Mass403.08
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate
SMILESO=C1CN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc2N1
InChIInChI=1S/C18H17N3O6S/c22-16-11-21(15-9-5-4-8-14(15)20-16)17(23)12-27-18(24)10-19-28(25,26)13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,20,22)
InChIKeyCRYXCNSZSGSPHE-UHFFFAOYSA-N
XLogP0.49
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate with MolForge

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Related Compounds

2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
4-(Benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
CID 1093237
(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 2123914
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
N-(4-Cyclohexylsulfamoyl-phenyl)-2-morpholin-4-yl-acetamide
CID 647448
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2079114
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 2123041
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetate
CID 2417884
2-Oxo-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)ethyl 2-(2-phenylethenesulfonamido)acetate
CID 2472656
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 2549829
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677684

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate (CID 2416704) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate is O=C1CN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate?
The InChIKey is CRYXCNSZSGSPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S/c22-16-11-21(15-9-5-4-8-14(15)20-16)17(23)12-27-18(24)10-19-28(25,26)13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,20,22).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate has a molecular weight of 403.42 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 2416704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).