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

C19H19N3O6S — CID 4843590

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H19N3O6S/c1-13-6-8-14(9-7-13)29(26,27)20-10-19(25)28-12-18(24)22-11-17(23)21-15-4-2-3-5-16(15)22/h2-9,20H,10-12H2,1H3,(H,21,23)
InChIKeyQAMLTNWQZYECRC-UHFFFAOYSA-N
MW417.44 g/mol
LogP0.80
Rot. Bonds6

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 4843590) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID4843590
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H19N3O6S/c1-13-6-8-14(9-7-13)29(26,27)20-10-19(25)28-12-18(24)22-11-17(23)21-15-4-2-3-5-16(15)22/h2-9,20H,10-12H2,1H3,(H,21,23)
InChIKeyQAMLTNWQZYECRC-UHFFFAOYSA-N
XLogP0.80
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 4843590) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is QAMLTNWQZYECRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-13-6-8-14(9-7-13)29(26,27)20-10-19(25)28-12-18(24)22-11-17(23)21-15-4-2-3-5-16(15)22/h2-9,20H,10-12H2,1H3,(H,21,23).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 417.44 g/mol, XLogP of 0.80, 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-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 4843590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).