N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide

C23H24N2O3S — CID 1320912

IUPACN-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-7-9-19(10-8-17)16-25(29(3,27)28)22-13-11-20(12-14-22)23(26)24-21-6-4-5-18(2)15-21/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyAXTKZVLRVDMHFS-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.52
Rot. Bonds6

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

N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 1320912) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
PubChem CID1320912
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-7-9-19(10-8-17)16-25(29(3,27)28)22-13-11-20(12-14-22)23(26)24-21-6-4-5-18(2)15-21/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyAXTKZVLRVDMHFS-UHFFFAOYSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
CID 1298506
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43880944
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1319509
N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1326540
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
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
N-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-3-methylbenzamide
CID 56832954
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
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
ethyl 2-chloro-4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 46778522

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide (CID 1320912) is N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide is Cc1ccc(CN(c2ccc(C(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is AXTKZVLRVDMHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-7-9-19(10-8-17)16-25(29(3,27)28)22-13-11-20(12-14-22)23(26)24-21-6-4-5-18(2)15-21/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 1320912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).