4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide

C19H24N2O3S — CID 109061279

IUPAC4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)12-13-20-25(23,24)18-10-6-16(7-11-18)19(22)21-17-8-4-15(3)5-9-17/h4-11,14,20H,12-13H2,1-3H3,(H,21,22)
InChIKeyGZCNXSIYFINJBJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.57
Rot. Bonds7

About 4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide

4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide (PubChem CID 109061279) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
PubChem CID109061279
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)12-13-20-25(23,24)18-10-6-16(7-11-18)19(22)21-17-8-4-15(3)5-9-17/h4-11,14,20H,12-13H2,1-3H3,(H,21,22)
InChIKeyGZCNXSIYFINJBJ-UHFFFAOYSA-N
XLogP3.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061283
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061299
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 24584227
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
CID 109061117
N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061321
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061303
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061292
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide (CID 109061279) is 4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC(C)C)cc2)cc1.
What is the InChIKey of 4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide?
The InChIKey is GZCNXSIYFINJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(2)12-13-20-25(23,24)18-10-6-16(7-11-18)19(22)21-17-8-4-15(3)5-9-17/h4-11,14,20H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide?
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 109061279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).