5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide

C21H28N2O3S — CID 26086643

IUPAC5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C
InChIInChI=1S/C21H28N2O3S/c1-7-16-10-8-9-15(3)19(16)22-20(24)18-13-17(12-11-14(18)2)27(25,26)23-21(4,5)6/h8-13,23H,7H2,1-6H3,(H,22,24)
InChIKeyBVDVDLCNSDGSRZ-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.19
Rot. Bonds5

About 5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide (PubChem CID 26086643) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
PubChem CID26086643
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C
InChIInChI=1S/C21H28N2O3S/c1-7-16-10-8-9-15(3)19(16)22-20(24)18-13-17(12-11-14(18)2)27(25,26)23-21(4,5)6/h8-13,23H,7H2,1-6H3,(H,22,24)
InChIKeyBVDVDLCNSDGSRZ-UHFFFAOYSA-N
XLogP4.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26880459
4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
CID 51310078
5-(tert-butylsulfamoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 26881359
5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide
CID 4094024
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 51166421
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902
N-(2,6-diethylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968900
5-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 31336695

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide (CID 26086643) is 5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide is CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide?
The InChIKey is BVDVDLCNSDGSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-7-16-10-8-9-15(3)19(16)22-20(24)18-13-17(12-11-14(18)2)27(25,26)23-21(4,5)6/h8-13,23H,7H2,1-6H3,(H,22,24).
What are the key properties of 5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide has a molecular weight of 388.53 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 26086643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).