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

C17H20N2O3S — CID 38294565

IUPAC4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O3S/c1-13-5-4-6-14(11-13)12-18-17(20)15-7-9-16(10-8-15)23(21,22)19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyXZXVEEBZLNPGJC-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.18
Rot. Bonds5

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

4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 38294565) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
PubChem CID38294565
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O3S/c1-13-5-4-6-14(11-13)12-18-17(20)15-7-9-16(10-8-15)23(21,22)19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyXZXVEEBZLNPGJC-UHFFFAOYSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685715
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 53282729
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9194509
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide (CID 38294565) is 4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is XZXVEEBZLNPGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-5-4-6-14(11-13)12-18-17(20)15-7-9-16(10-8-15)23(21,22)19(2)3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 38294565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).