N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide

C19H24N2O3S — CID 109058575

IUPACN-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-4-13-20-19(22)16-9-11-18(12-10-16)25(23,24)21-14-17-8-6-5-7-15(17)2/h5-12,21H,3-4,13-14H2,1-2H3,(H,20,22)
InChIKeyRSWDIZAUEUXEOI-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.00
Rot. Bonds8

About N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide

N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109058575) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109058575
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-4-13-20-19(22)16-9-11-18(12-10-16)25(23,24)21-14-17-8-6-5-7-15(17)2/h5-12,21H,3-4,13-14H2,1-2H3,(H,20,22)
InChIKeyRSWDIZAUEUXEOI-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109060624
4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
CID 109060818
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
CID 8574875
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide
CID 109061034
N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
CID 109057991
N-butyl-N'-[(2-methylphenyl)methyl]oxamide
CID 2174476
4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide (CID 109058575) is N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide is CCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccccc2C)cc1.
What is the InChIKey of N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is RSWDIZAUEUXEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-4-13-20-19(22)16-9-11-18(12-10-16)25(23,24)21-14-17-8-6-5-7-15(17)2/h5-12,21H,3-4,13-14H2,1-2H3,(H,20,22).
What are the key properties of N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide?
N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109058575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).