4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide

C18H22N2O3S — CID 109057844

IUPAC4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-11-19-18(21)16-7-9-17(10-8-16)24(22,23)20-13-15-6-4-5-14(2)12-15/h4-10,12,20H,3,11,13H2,1-2H3,(H,19,21)
InChIKeyDDUAYWBASJNYMI-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.61
Rot. Bonds7

About 4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide

4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide (PubChem CID 109057844) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
PubChem CID109057844
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-11-19-18(21)16-7-9-17(10-8-16)24(22,23)20-13-15-6-4-5-14(2)12-15/h4-10,12,20H,3,11,13H2,1-2H3,(H,19,21)
InChIKeyDDUAYWBASJNYMI-UHFFFAOYSA-N
XLogP2.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060652
N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109059006
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109063623
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
CID 17191568
N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064577
N-[2-[benzyl(methyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 20854214
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109058575

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide?
The IUPAC name of 4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide (CID 109057844) is 4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide.
What is the SMILES notation for 4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide?
The canonical SMILES for 4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide is CCCNC(=O)c1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of 4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide?
The InChIKey is DDUAYWBASJNYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-11-19-18(21)16-7-9-17(10-8-16)24(22,23)20-13-15-6-4-5-14(2)12-15/h4-10,12,20H,3,11,13H2,1-2H3,(H,19,21).
What are the key properties of 4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide?
4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 109057844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).