5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide

C20H26N2O4S — CID 26414248

IUPAC5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C
InChIInChI=1S/C20H26N2O4S/c1-13-7-10-18(26-6)17(11-13)21-19(23)16-12-15(9-8-14(16)2)27(24,25)22-20(3,4)5/h7-12,22H,1-6H3,(H,21,23)
InChIKeyIBSVMLFKKRESMB-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.64
Rot. Bonds5

About 5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide (PubChem CID 26414248) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
PubChem CID26414248
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C
InChIInChI=1S/C20H26N2O4S/c1-13-7-10-18(26-6)17(11-13)21-19(23)16-12-15(9-8-14(16)2)27(24,25)22-20(3,4)5/h7-12,22H,1-6H3,(H,21,23)
InChIKeyIBSVMLFKKRESMB-UHFFFAOYSA-N
XLogP3.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 51166421
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550828
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550879
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
N-(5-acetamido-2-methoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 42112029
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide (CID 26414248) is 5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide is COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide?
The InChIKey is IBSVMLFKKRESMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-13-7-10-18(26-6)17(11-13)21-19(23)16-12-15(9-8-14(16)2)27(24,25)22-20(3,4)5/h7-12,22H,1-6H3,(H,21,23).
What are the key properties of 5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide has a molecular weight of 390.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 26414248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).