N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide

C17H28N2O3S — CID 109065314

IUPACN-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1cccc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C17H28N2O3S/c1-4-5-6-11-19-23(21,22)16-9-7-8-15(13-16)17(20)18-12-10-14(2)3/h7-9,13-14,19H,4-6,10-12H2,1-3H3,(H,18,20)
InChIKeyCBLYKJFBTXMCHY-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.93
Rot. Bonds10

About N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide

N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide (PubChem CID 109065314) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
PubChem CID109065314
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
SMILESCCCCCNS(=O)(=O)c1cccc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C17H28N2O3S/c1-4-5-6-11-19-23(21,22)16-9-7-8-15(13-16)17(20)18-12-10-14(2)3/h7-9,13-14,19H,4-6,10-12H2,1-3H3,(H,18,20)
InChIKeyCBLYKJFBTXMCHY-UHFFFAOYSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109064177
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 17226785
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
N-butyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 39383401
3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109064621
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064786
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide?
The IUPAC name of N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide (CID 109065314) is N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide is CCCCCNS(=O)(=O)c1cccc(C(=O)NCCC(C)C)c1.
What is the InChIKey of N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide?
The InChIKey is CBLYKJFBTXMCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-4-5-6-11-19-23(21,22)16-9-7-8-15(13-16)17(20)18-12-10-14(2)3/h7-9,13-14,19H,4-6,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide?
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide has a molecular weight of 340.49 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide is sourced from PubChem (CID 109065314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).