3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide

C24H22N4O5S — CID 22423581

IUPAC3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)ccc3c2=O)cc1
InChIInChI=1S/C24H22N4O5S/c1-15-2-7-18(8-3-15)28-23(30)20-11-6-17(14-21(20)27-24(28)31)22(29)26-13-12-16-4-9-19(10-5-16)34(25,32)33/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)
InChIKeyRZDUQOBGUQKUHN-UHFFFAOYSA-N
MW478.53 g/mol
LogP1.61
Rot. Bonds6

About 3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide

3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide (PubChem CID 22423581) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide
PubChem CID22423581
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC Name3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)ccc3c2=O)cc1
InChIInChI=1S/C24H22N4O5S/c1-15-2-7-18(8-3-15)28-23(30)20-11-6-17(14-21(20)27-24(28)31)22(29)26-13-12-16-4-9-19(10-5-16)34(25,32)33/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33)
InChIKeyRZDUQOBGUQKUHN-UHFFFAOYSA-N
XLogP1.61
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzylsulfanylethyl)-3-(4-methylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15996626
3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide
CID 113205000
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1346453
methyl 4-oxo-3-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 42585672
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide
CID 39040917
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 26824231
3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 146154438

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide (CID 22423581) is 3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide is Cc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide?
The InChIKey is RZDUQOBGUQKUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-15-2-7-18(8-3-15)28-23(30)20-11-6-17(14-21(20)27-24(28)31)22(29)26-13-12-16-4-9-19(10-5-16)34(25,32)33/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,31)(H2,25,32,33).
What are the key properties of 3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide?
3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 22423581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).