N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide

C24H22N4O3S — CID 69091103

IUPACN-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Nc2nc(S(C)(=O)=O)c3ccccc3n2)cc1
InChIInChI=1S/C24H22N4O3S/c1-15-7-6-8-16(2)21(15)27-22(29)17-11-13-18(14-12-17)25-24-26-20-10-5-4-9-19(20)23(28-24)32(3,30)31/h4-14H,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyKRQFQIISKARGNR-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.65
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide

N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide (PubChem CID 69091103) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide
PubChem CID69091103
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Nc2nc(S(C)(=O)=O)c3ccccc3n2)cc1
InChIInChI=1S/C24H22N4O3S/c1-15-7-6-8-16(2)21(15)27-22(29)17-11-13-18(14-12-17)25-24-26-20-10-5-4-9-19(20)23(28-24)32(3,30)31/h4-14H,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyKRQFQIISKARGNR-UHFFFAOYSA-N
XLogP4.65
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-[(2,6-dimethylphenyl)carbamoyl]anilino]quinazolin-4-yl]benzamide
CID 25071136
N-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)quinazolin-2-yl]amino]benzamide
CID 25069523
N-(2,6-dimethylphenyl)-4-[(6-methyl-4-phenylquinazolin-2-yl)amino]benzamide
CID 3129496
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714
N-(2,6-difluorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796553
4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 174721221
N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 72724706
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-[3-[(2-hydroxyethylamino)methyl]-2-methylphenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
CID 69045980
N-acridin-9-ylbenzamide
CID 40532924

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide (CID 69091103) is N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide is Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(S(C)(=O)=O)c3ccccc3n2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide?
The InChIKey is KRQFQIISKARGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-15-7-6-8-16(2)21(15)27-22(29)17-11-13-18(14-12-17)25-24-26-20-10-5-4-9-19(20)23(28-24)32(3,30)31/h4-14H,1-3H3,(H,27,29)(H,25,26,28).
What are the key properties of N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide?
N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[(4-methylsulfonylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 69091103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).