4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide

C18H22N2O3S — CID 26542020

IUPAC4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-5-10-17(14(2)11-13)24(22,23)20(4)12-15-6-8-16(9-7-15)18(21)19-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyQTTKAPAMNIPZET-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.48
Rot. Bonds5

About 4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide

4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 26542020) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
PubChem CID26542020
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-5-10-17(14(2)11-13)24(22,23)20(4)12-15-6-8-16(9-7-15)18(21)19-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyQTTKAPAMNIPZET-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542014
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
N-methyl-4-[[methyl-(4-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541991
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide
CID 34183340
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide (CID 26542020) is 4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is QTTKAPAMNIPZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-5-10-17(14(2)11-13)24(22,23)20(4)12-15-6-8-16(9-7-15)18(21)19-3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 26542020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).