N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide

C18H22N2O3S — CID 109062704

IUPACN-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(C)C)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(2)12-19-24(22,23)17-6-4-5-15(11-17)18(21)20-16-9-7-14(3)8-10-16/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeySZXUWRHGJAGZDI-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.18
Rot. Bonds6

About N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide

N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide (PubChem CID 109062704) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
PubChem CID109062704
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(C)C)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(2)12-19-24(22,23)17-6-4-5-15(11-17)18(21)20-16-9-7-14(3)8-10-16/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeySZXUWRHGJAGZDI-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062723
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062702
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164338
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate
CID 109062752
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide (CID 109062704) is N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(C)C)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is SZXUWRHGJAGZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(2)12-19-24(22,23)17-6-4-5-15(11-17)18(21)20-16-9-7-14(3)8-10-16/h4-11,13,19H,12H2,1-3H3,(H,20,21).
What are the key properties of N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide?
N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 109062704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).