N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C24H22N4O4S — CID 135971089

IUPACN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C24H22N4O4S/c1-16-7-3-5-9-20(16)27-33(31,32)18-13-11-17(12-14-18)24(30)28(2)15-22-25-21-10-6-4-8-19(21)23(29)26-22/h3-14,27H,15H2,1-2H3,(H,25,26,29)
InChIKeyDXYWMLCSWMEMAV-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.30
Rot. Bonds6

About N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135971089) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135971089
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C24H22N4O4S/c1-16-7-3-5-9-20(16)27-33(31,32)18-13-11-17(12-14-18)24(30)28(2)15-22-25-21-10-6-4-8-19(21)23(29)26-22/h3-14,27H,15H2,1-2H3,(H,25,26,29)
InChIKeyDXYWMLCSWMEMAV-UHFFFAOYSA-N
XLogP3.30
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide
CID 135971119
N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020437
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9227970
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
4-methyl-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135903821
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9305406
4-[2-[(2-hydroxy-2-phenylethyl)amino]butyl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 137103549
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 135877077
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135971089) is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is DXYWMLCSWMEMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-16-7-3-5-9-20(16)27-33(31,32)18-13-11-17(12-14-18)24(30)28(2)15-22-25-21-10-6-4-8-19(21)23(29)26-22/h3-14,27H,15H2,1-2H3,(H,25,26,29).
What are the key properties of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 462.53 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135971089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).