[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C19H18N4O6S — CID 135545638

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H18N4O6S/c20-30(27,28)13-7-5-12(6-8-13)21-17(24)11-29-18(25)10-9-16-22-15-4-2-1-3-14(15)19(26)23-16/h1-8H,9-11H2,(H,21,24)(H2,20,27,28)(H,22,23,26)
InChIKeyDMQWYNVBWCOMGL-UHFFFAOYSA-N
MW430.44 g/mol
LogP0.69
Rot. Bonds7

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135545638) has the molecular formula C19H18N4O6S and a molecular weight of 430.44 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135545638
Molecular FormulaC19H18N4O6S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H18N4O6S/c20-30(27,28)13-7-5-12(6-8-13)21-17(24)11-29-18(25)10-9-16-22-15-4-2-1-3-14(15)19(26)23-16/h1-8H,9-11H2,(H,21,24)(H2,20,27,28)(H,22,23,26)
InChIKeyDMQWYNVBWCOMGL-UHFFFAOYSA-N
XLogP0.69
TPSA161.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

1-((3-(Trifluoromethyl)phenyl)carbamoyl)ethyl 3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoate
CID 135515801
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2394149
[2-(4-cyanoanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135418821
[2-(4-tert-butylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135444940
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135449839
N-[3-(dimethylsulfamoyl)phenyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135659958
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135498677
(2-anilino-2-oxoethyl) 3-(4-oxo-1H-quinazolin-2-yl)propanoate
CID 135811370
N-(3-morpholin-4-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135781247
[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135399995
[2-(2,6-diethylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135401320
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135415501

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135545638) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is DMQWYNVBWCOMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6S/c20-30(27,28)13-7-5-12(6-8-13)21-17(24)11-29-18(25)10-9-16-22-15-4-2-1-3-14(15)19(26)23-16/h1-8H,9-11H2,(H,21,24)(H2,20,27,28)(H,22,23,26).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 430.44 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135545638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).