5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide

C17H28N2O3S — CID 35515135

IUPAC5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCC(C)C
InChIInChI=1S/C17H28N2O3S/c1-12(2)9-10-18-16(20)15-11-14(8-7-13(15)3)23(21,22)19-17(4,5)6/h7-8,11-12,19H,9-10H2,1-6H3,(H,18,20)
InChIKeyJMWMWUGQZLOSHJ-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.85
Rot. Bonds6

About 5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide

5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide (PubChem CID 35515135) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
PubChem CID35515135
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCC(C)C
InChIInChI=1S/C17H28N2O3S/c1-12(2)9-10-18-16(20)15-11-14(8-7-13(15)3)23(21,22)19-17(4,5)6/h7-8,11-12,19H,9-10H2,1-6H3,(H,18,20)
InChIKeyJMWMWUGQZLOSHJ-UHFFFAOYSA-N
XLogP2.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
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5-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 31336695
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide
CID 56558667
5-(tert-butylsulfamoyl)-N-[2-(3-chlorophenoxy)ethyl]-2-methylbenzamide
CID 55716374
5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 51155817
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 119499223
5-(tert-butylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-methylbenzamide
CID 26086643
4-chloro-3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
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5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 51166421

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide (CID 35515135) is 5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCCC(C)C.
What is the InChIKey of 5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is JMWMWUGQZLOSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-12(2)9-10-18-16(20)15-11-14(8-7-13(15)3)23(21,22)19-17(4,5)6/h7-8,11-12,19H,9-10H2,1-6H3,(H,18,20).
What are the key properties of 5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide?
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide has a molecular weight of 340.49 g/mol, XLogP of 2.85, 6 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-(3-methylbutyl)benzamide is sourced from PubChem (CID 35515135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).