N-benzyl-4-(2-methylpropylsulfamoyl)benzamide

C18H22N2O3S — CID 109058915

IUPACN-benzyl-4-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(2)12-20-24(22,23)17-10-8-16(9-11-17)18(21)19-13-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,19,21)
InChIKeyZQYAQLJNWHYSFI-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.55
Rot. Bonds7

About N-benzyl-4-(2-methylpropylsulfamoyl)benzamide

N-benzyl-4-(2-methylpropylsulfamoyl)benzamide (PubChem CID 109058915) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-benzyl-4-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(2-methylpropylsulfamoyl)benzamide
PubChem CID109058915
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-benzyl-4-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(2)12-20-24(22,23)17-10-8-16(9-11-17)18(21)19-13-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,19,21)
InChIKeyZQYAQLJNWHYSFI-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 119528684
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 119384028
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109060284
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
2-[2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241930
N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide
CID 109061010
(2S)-3-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]butanoic acid
CID 119359662
4-(2-methylpropylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109058952

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-4-(2-methylpropylsulfamoyl)benzamide (CID 109058915) is N-benzyl-4-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-4-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-4-(2-methylpropylsulfamoyl)benzamide is CC(C)CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is ZQYAQLJNWHYSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(2)12-20-24(22,23)17-10-8-16(9-11-17)18(21)19-13-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-4-(2-methylpropylsulfamoyl)benzamide?
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 109058915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).