5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide

C21H28N2O3S — CID 26085916

IUPAC5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-13-10-15(3)19(16(4)11-13)22-20(24)18-12-17(9-8-14(18)2)27(25,26)23-21(5,6)7/h8-12,23H,1-7H3,(H,22,24)
InChIKeyFCZZVJKJRGQVSP-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.25
Rot. Bonds4

About 5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide

5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 26085916) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID26085916
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-13-10-15(3)19(16(4)11-13)22-20(24)18-12-17(9-8-14(18)2)27(25,26)23-21(5,6)7/h8-12,23H,1-7H3,(H,22,24)
InChIKeyFCZZVJKJRGQVSP-UHFFFAOYSA-N
XLogP4.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
CID 26086643
5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 51166421
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
CID 26414248
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
5-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 31336695
5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 26881359
5-(tert-butylsulfamoyl)-2-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556234
5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26850641
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783242

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide (CID 26085916) is 5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)c(C)c1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is FCZZVJKJRGQVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-13-10-15(3)19(16(4)11-13)22-20(24)18-12-17(9-8-14(18)2)27(25,26)23-21(5,6)7/h8-12,23H,1-7H3,(H,22,24).
What are the key properties of 5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide?
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 26085916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).