[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate

C18H16N4O6S — CID 2394149

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H16N4O6S/c19-29(26,27)13-7-5-12(6-8-13)21-16(23)10-28-17(24)9-22-11-20-15-4-2-1-3-14(15)18(22)25/h1-8,11H,9-10H2,(H,21,23)(H2,19,26,27)
InChIKeyVOFAPVSXJDMFMD-UHFFFAOYSA-N
MW416.42 g/mol
LogP0.23
Rot. Bonds6

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 2394149) has the molecular formula C18H16N4O6S and a molecular weight of 416.42 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID2394149
Molecular FormulaC18H16N4O6S
Molecular Weight416.42 g/mol
Exact Mass416.08
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H16N4O6S/c19-29(26,27)13-7-5-12(6-8-13)21-16(23)10-28-17(24)9-22-11-20-15-4-2-1-3-14(15)18(22)25/h1-8,11H,9-10H2,(H,21,23)(H2,19,26,27)
InChIKeyVOFAPVSXJDMFMD-UHFFFAOYSA-N
XLogP0.23
TPSA150.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 2394149) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is VOFAPVSXJDMFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6S/c19-29(26,27)13-7-5-12(6-8-13)21-16(23)10-28-17(24)9-22-11-20-15-4-2-1-3-14(15)18(22)25/h1-8,11H,9-10H2,(H,21,23)(H2,19,26,27).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 416.42 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 2394149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).