2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide

C18H22N2O3S — CID 38122928

IUPAC2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-4-9-17(14(2)10-13)18(21)20-11-15-5-7-16(8-6-15)12-24(22,23)19-3/h4-10,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyDWARHMQIWJVJEP-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.28
Rot. Bonds6

About 2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide

2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide (PubChem CID 38122928) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
PubChem CID38122928
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-4-9-17(14(2)10-13)18(21)20-11-15-5-7-16(8-6-15)12-24(22,23)19-3/h4-10,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyDWARHMQIWJVJEP-UHFFFAOYSA-N
XLogP2.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[[4-(bromomethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233714
3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 33118512
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 34558079
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122539
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 33284711
2-chloro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-methylsulfanylbenzamide
CID 46662404
4-chloro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-nitrobenzamide
CID 38122888
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide (CID 38122928) is 2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
The InChIKey is DWARHMQIWJVJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-4-9-17(14(2)10-13)18(21)20-11-15-5-7-16(8-6-15)12-24(22,23)19-3/h4-10,19H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide?
2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 38122928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).