4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C24H22N4O5S — CID 5144292

IUPAC4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C24H22N4O5S/c25-34(32,33)19-11-7-16(8-12-19)13-14-26-22(29)18-9-5-17(6-10-18)15-28-23(30)20-3-1-2-4-21(20)27-24(28)31/h1-12H,13-15H2,(H,26,29)(H,27,31)(H2,25,32,33)
InChIKeyXLSODBAWUKIJPC-UHFFFAOYSA-N
MW478.53 g/mol
LogP1.36
Rot. Bonds7

About 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 5144292) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID5144292
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC Name4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C24H22N4O5S/c25-34(32,33)19-11-7-16(8-12-19)13-14-26-22(29)18-9-5-17(6-10-18)15-28-23(30)20-3-1-2-4-21(20)27-24(28)31/h1-12H,13-15H2,(H,26,29)(H,27,31)(H2,25,32,33)
InChIKeyXLSODBAWUKIJPC-UHFFFAOYSA-N
XLogP1.36
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide with MolForge

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Related Compounds

4-[2-(6-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 5155717
2-(4-Phenylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
CID 4793207
N-(2-Benzoyl-phenyl)-4-[3-(3-piperidin-1-yl-propyl)-ureido]-benzenesulfonamide
CID 24895452
Otaplimastat
CID 44229378
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl]-2,4(1H,3H)-quinazolinedione
CID 19087731
4-[2-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)ethyl]benzene-1-sulfonamide
CID 2470552
N-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-N,1,3-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinesulfonamide
CID 5307760
4-[2-(7-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 127043469
4-[2-(8-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 127044664

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 5144292) is 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cc2)cc1.
What is the InChIKey of 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is XLSODBAWUKIJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c25-34(32,33)19-11-7-16(8-12-19)13-14-26-22(29)18-9-5-17(6-10-18)15-28-23(30)20-3-1-2-4-21(20)27-24(28)31/h1-12H,13-15H2,(H,26,29)(H,27,31)(H2,25,32,33).
What are the key properties of 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 478.53 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 5144292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).