N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

C20H26N2O3S — CID 2677261

IUPACN-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(2)12-13-21-20(23)17-6-5-7-19(14-17)26(24,25)22(4)18-10-8-16(3)9-11-18/h5-11,14-15H,12-13H2,1-4H3,(H,21,23)
InChIKeyWOHZKJCEXLOUKT-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.60
Rot. Bonds7

About N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide

N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 2677261) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
PubChem CID2677261
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(2)12-13-21-20(23)17-6-5-7-19(14-17)26(24,25)22(4)18-10-8-16(3)9-11-18/h5-11,14-15H,12-13H2,1-4H3,(H,21,23)
InChIKeyWOHZKJCEXLOUKT-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861334
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 38448547
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 8531259
N-[2-(dimethylamino)-2-oxoethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9480630
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 50795489
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 132670833
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 7751591
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-[4-(ethylcarbamoyl)phenyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55802210
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 119521508

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide (CID 2677261) is N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)cc1.
What is the InChIKey of N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is WOHZKJCEXLOUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(2)12-13-21-20(23)17-6-5-7-19(14-17)26(24,25)22(4)18-10-8-16(3)9-11-18/h5-11,14-15H,12-13H2,1-4H3,(H,21,23).
What are the key properties of N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide?
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2677261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).