4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide

C21H28N2O3S — CID 46689119

IUPAC4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-14(2)18-9-7-8-15(3)19(18)22-20(24)16-10-12-17(13-11-16)27(25,26)23-21(4,5)6/h7-14,23H,1-6H3,(H,22,24)
InChIKeyNJURULGTAULHGG-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.45
Rot. Bonds5

About 4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide

4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide (PubChem CID 46689119) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
PubChem CID46689119
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-14(2)18-9-7-8-15(3)19(18)22-20(24)16-10-12-17(13-11-16)27(25,26)23-21(4,5)6/h7-14,23H,1-6H3,(H,22,24)
InChIKeyNJURULGTAULHGG-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
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-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109061140
4-(cyclopropylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 109058403
N-(2-methyl-6-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2701412
4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
CID 51310078
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 38015649
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 50945551

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide (CID 46689119) is 4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The InChIKey is NJURULGTAULHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-14(2)18-9-7-8-15(3)19(18)22-20(24)16-10-12-17(13-11-16)27(25,26)23-21(4,5)6/h7-14,23H,1-6H3,(H,22,24).
What are the key properties of 4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.45, 5 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-methyl-6-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 46689119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).