3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide

C20H24N2O4S — CID 109065339

IUPAC3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(2)11-12-21-20(24)17-5-4-6-19(13-17)27(25,26)22-18-9-7-16(8-10-18)15(3)23/h4-10,13-14,22H,11-12H2,1-3H3,(H,21,24)
InChIKeyOOHKDWJVQQZDND-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.47
Rot. Bonds8

About 3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide

3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide (PubChem CID 109065339) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
PubChem CID109065339
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14(2)11-12-21-20(24)17-5-4-6-19(13-17)27(25,26)22-18-9-7-16(8-10-18)15(3)23/h4-10,13-14,22H,11-12H2,1-3H3,(H,21,24)
InChIKeyOOHKDWJVQQZDND-UHFFFAOYSA-N
XLogP3.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065328
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065341
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065428
3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109064177
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide (CID 109065339) is 3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide is CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC(C)C)c2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
The InChIKey is OOHKDWJVQQZDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(2)11-12-21-20(24)17-5-4-6-19(13-17)27(25,26)22-18-9-7-16(8-10-18)15(3)23/h4-10,13-14,22H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 109065339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).