4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide

C21H28N2O3S — CID 51310078

IUPAC4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-6-15-9-8-10-16(7-2)19(15)22-20(24)17-11-13-18(14-12-17)27(25,26)23-21(3,4)5/h8-14,23H,6-7H2,1-5H3,(H,22,24)
InChIKeyRUMDHXFPVVZTQO-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.14
Rot. Bonds6

About 4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide

4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide (PubChem CID 51310078) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
PubChem CID51310078
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-6-15-9-8-10-16(7-2)19(15)22-20(24)17-11-13-18(14-12-17)27(25,26)23-21(3,4)5/h8-14,23H,6-7H2,1-5H3,(H,22,24)
InChIKeyRUMDHXFPVVZTQO-UHFFFAOYSA-N
XLogP4.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
CID 26086643
4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 46689119
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793
4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55900084
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
4-(cyclopropylsulfamoyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 109058401
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide (CID 51310078) is 4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide is CCc1cccc(CC)c1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide?
The InChIKey is RUMDHXFPVVZTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-15-9-8-10-16(7-2)19(15)22-20(24)17-11-13-18(14-12-17)27(25,26)23-21(3,4)5/h8-14,23H,6-7H2,1-5H3,(H,22,24).
What are the key properties of 4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide?
4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide is sourced from PubChem (CID 51310078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).