4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide

C21H21N3O3S — CID 1298506

IUPAC4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-5-7-17(8-6-16)15-24(28(2,26)27)20-11-9-18(10-12-20)21(25)23-19-4-3-13-22-14-19/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyMGCMCKRZIUFXEY-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.61
Rot. Bonds6

About 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide

4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide (PubChem CID 1298506) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
PubChem CID1298506
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H21N3O3S/c1-16-5-7-17(8-6-16)15-24(28(2,26)27)20-11-9-18(10-12-20)21(25)23-19-4-3-13-22-14-19/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyMGCMCKRZIUFXEY-UHFFFAOYSA-N
XLogP3.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1326540
4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 1107721
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 46771889
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
CID 982641
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126031320
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methoxyphenyl)benzamide
CID 53282493
ethyl 2-chloro-5-[[4-[(4-methylphenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoate
CID 92681248

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide (CID 1298506) is 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide is Cc1ccc(CN(c2ccc(C(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide?
The InChIKey is MGCMCKRZIUFXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-5-7-17(8-6-16)15-24(28(2,26)27)20-11-9-18(10-12-20)21(25)23-19-4-3-13-22-14-19/h3-14H,15H2,1-2H3,(H,23,25).
What are the key properties of 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide?
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide has a molecular weight of 395.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1298506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).