3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide

C20H24N2O4S — CID 109065428

IUPAC3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-3-4-5-12-21-20(24)17-9-7-11-19(14-17)27(25,26)22-18-10-6-8-16(13-18)15(2)23/h6-11,13-14,22H,3-5,12H2,1-2H3,(H,21,24)
InChIKeyRDQMIMHQJFUJEK-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.61
Rot. Bonds9

About 3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide

3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide (PubChem CID 109065428) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
PubChem CID109065428
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-3-4-5-12-21-20(24)17-9-7-11-19(14-17)27(25,26)22-18-10-6-8-16(13-18)15(2)23/h6-11,13-14,22H,3-5,12H2,1-2H3,(H,21,24)
InChIKeyRDQMIMHQJFUJEK-UHFFFAOYSA-N
XLogP3.61
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412
N-butyl-3-(pyridin-3-ylsulfonylamino)benzamide
CID 118572866
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide (CID 109065428) is 3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide is CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide?
The InChIKey is RDQMIMHQJFUJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-4-5-12-21-20(24)17-9-7-11-19(14-17)27(25,26)22-18-10-6-8-16(13-18)15(2)23/h6-11,13-14,22H,3-5,12H2,1-2H3,(H,21,24).
What are the key properties of 3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide?
3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide is sourced from PubChem (CID 109065428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).