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

C18H22N2O3S — CID 38352261

IUPAC2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-11-19-24(22,23)16-8-6-15(7-9-16)20-18(21)17-10-5-13(2)12-14(17)3/h5-10,12,19H,4,11H2,1-3H3,(H,20,21)
InChIKeyLKPCRVXNHPREII-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.24
Rot. Bonds6

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

2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide (PubChem CID 38352261) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
PubChem CID38352261
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-11-19-24(22,23)16-8-6-15(7-9-16)20-18(21)17-10-5-13(2)12-14(17)3/h5-10,12,19H,4,11H2,1-3H3,(H,20,21)
InChIKeyLKPCRVXNHPREII-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4778992
2,4-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352115
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181
2-(2,5-dimethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932601
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
5-bromo-2-methoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17094279
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 25038796
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
CID 4028729
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide (CID 38352261) is 2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide is CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide?
The InChIKey is LKPCRVXNHPREII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-11-19-24(22,23)16-8-6-15(7-9-16)20-18(21)17-10-5-13(2)12-14(17)3/h5-10,12,19H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide?
2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.24, 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-(propylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 38352261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).