4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide

C19H22N2O3S — CID 46587606

IUPAC4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-13-3-4-16(14(2)11-13)12-20-19(22)15-5-9-18(10-6-15)25(23,24)21-17-7-8-17/h3-6,9-11,17,21H,7-8,12H2,1-2H3,(H,20,22)
InChIKeyRAWPBTPWJFNOIM-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.67
Rot. Bonds6

About 4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide

4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide (PubChem CID 46587606) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
PubChem CID46587606
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-13-3-4-16(14(2)11-13)12-20-19(22)15-5-9-18(10-6-15)25(23,24)21-17-7-8-17/h3-6,9-11,17,21H,7-8,12H2,1-2H3,(H,20,22)
InChIKeyRAWPBTPWJFNOIM-UHFFFAOYSA-N
XLogP2.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587666
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 55595158
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692896
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
4-cyclohexyl-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]benzamide
CID 52685874
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
4-(cyclopropylsulfamoyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 109058401
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide (CID 46587606) is 4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide?
The InChIKey is RAWPBTPWJFNOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-3-4-16(14(2)11-13)12-20-19(22)15-5-9-18(10-6-15)25(23,24)21-17-7-8-17/h3-6,9-11,17,21H,7-8,12H2,1-2H3,(H,20,22).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide?
4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide is sourced from PubChem (CID 46587606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).