1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide

C19H20N4O5S — CID 4844514

IUPAC1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)c3ccc(S(N)(=O)=O)cc3)ccc21
InChIInChI=1S/C19H20N4O5S/c1-3-23-16-9-6-13(10-15(16)22-18(25)19(23)26)17(24)21-11(2)12-4-7-14(8-5-12)29(20,27)28/h4-11H,3H2,1-2H3,(H,21,24)(H,22,25)(H2,20,27,28)
InChIKeyVXNDWSCYUNQXEG-UHFFFAOYSA-N
MW416.46 g/mol
LogP0.85
Rot. Bonds5

About 1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide

1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide (PubChem CID 4844514) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide
PubChem CID4844514
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)c3ccc(S(N)(=O)=O)cc3)ccc21
InChIInChI=1S/C19H20N4O5S/c1-3-23-16-9-6-13(10-15(16)22-18(25)19(23)26)17(24)21-11(2)12-4-7-14(8-5-12)29(20,27)28/h4-11H,3H2,1-2H3,(H,21,24)(H,22,25)(H2,20,27,28)
InChIKeyVXNDWSCYUNQXEG-UHFFFAOYSA-N
XLogP0.85
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide (CID 4844514) is 1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC(C)c3ccc(S(N)(=O)=O)cc3)ccc21.
What is the InChIKey of 1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide?
The InChIKey is VXNDWSCYUNQXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-3-23-16-9-6-13(10-15(16)22-18(25)19(23)26)17(24)21-11(2)12-4-7-14(8-5-12)29(20,27)28/h4-11H,3H2,1-2H3,(H,21,24)(H,22,25)(H2,20,27,28).
What are the key properties of 1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide?
1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dioxo-N-[1-(4-sulfamoylphenyl)ethyl]-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 4844514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).