3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide

C21H28N2O3S — CID 109065280

IUPAC3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C21H28N2O3S/c1-15(2)12-13-22-27(25,26)18-9-7-8-17(14-18)21(24)23-20-11-6-5-10-19(20)16(3)4/h5-11,14-16,22H,12-13H2,1-4H3,(H,23,24)
InChIKeyICQXZEPIQCSANR-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.39
Rot. Bonds8

About 3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide

3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 109065280) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
PubChem CID109065280
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C21H28N2O3S/c1-15(2)12-13-22-27(25,26)18-9-7-8-17(14-18)21(24)23-20-11-6-5-10-19(20)16(3)4/h5-11,14-16,22H,12-13H2,1-4H3,(H,23,24)
InChIKeyICQXZEPIQCSANR-UHFFFAOYSA-N
XLogP4.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065274
4-(2-methylpropylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109058952
N-(2-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062702
N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065294
N-(2-methylpropyl)-3-[(2-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109062830
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
4-[2-(dimethylamino)ethylsulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 109060178
N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
CID 109064737
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109064621
methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate
CID 109062752

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide (CID 109065280) is 3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide is CC(C)CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is ICQXZEPIQCSANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)12-13-22-27(25,26)18-9-7-8-17(14-18)21(24)23-20-11-6-5-10-19(20)16(3)4/h5-11,14-16,22H,12-13H2,1-4H3,(H,23,24).
What are the key properties of 3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide?
3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.39, 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-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 109065280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).