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

C20H19N3O6S — CID 2472656

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESO=C1CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c2ccccc2N1
InChIInChI=1S/C20H19N3O6S/c24-18-13-23(17-9-5-4-8-16(17)22-18)19(25)14-29-20(26)12-21-30(27,28)11-10-15-6-2-1-3-7-15/h1-11,21H,12-14H2,(H,22,24)/b11-10+
InChIKeyQVHFPCPVTSIJGB-ZHACJKMWSA-N
MW429.45 g/mol
LogP1.11
Rot. Bonds7

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

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (PubChem CID 2472656) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
PubChem CID2472656
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESO=C1CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c2ccccc2N1
InChIInChI=1S/C20H19N3O6S/c24-18-13-23(17-9-5-4-8-16(17)22-18)19(25)14-29-20(26)12-21-30(27,28)11-10-15-6-2-1-3-7-15/h1-11,21H,12-14H2,(H,22,24)/b11-10+
InChIKeyQVHFPCPVTSIJGB-ZHACJKMWSA-N
XLogP1.11
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CID 2472656) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is O=C1CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
The InChIKey is QVHFPCPVTSIJGB-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H19N3O6S/c24-18-13-23(17-9-5-4-8-16(17)22-18)19(25)14-29-20(26)12-21-30(27,28)11-10-15-6-2-1-3-7-15/h1-11,21H,12-14H2,(H,22,24)/b11-10+.
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate has a molecular weight of 429.45 g/mol, XLogP of 1.11, 7 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-[[(E)-2-phenylethenyl]sulfonylamino]acetate is sourced from PubChem (CID 2472656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).