3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide

C20H26N2O3S — CID 109064621

IUPAC3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCCC(C)C)c2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(2)11-12-22-26(24,25)19-6-4-5-18(13-19)20(23)21-14-17-9-7-16(3)8-10-17/h4-10,13,15,22H,11-12,14H2,1-3H3,(H,21,23)
InChIKeyCUGZDBBBTWXICB-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.25
Rot. Bonds8

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

3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 109064621) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
PubChem CID109064621
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCCC(C)C)c2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(2)11-12-22-26(24,25)19-6-4-5-18(13-19)20(23)21-14-17-9-7-16(3)8-10-17/h4-10,13,15,22H,11-12,14H2,1-3H3,(H,21,23)
InChIKeyCUGZDBBBTWXICB-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
CID 109064737
N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065274
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55948380
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109064177
3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062787
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109065280

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide (CID 109064621) is 3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCCC(C)C)c2)cc1.
What is the InChIKey of 3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is CUGZDBBBTWXICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(2)11-12-22-26(24,25)19-6-4-5-18(13-19)20(23)21-14-17-9-7-16(3)8-10-17/h4-10,13,15,22H,11-12,14H2,1-3H3,(H,21,23).
What are the key properties of 3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide?
3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 109064621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).