3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide

C15H24N2O3S — CID 17476236

IUPAC3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C15H24N2O3S/c1-5-6-7-8-17-15(18)13-9-11(2)12(3)14(10-13)21(19,20)16-4/h9-10,16H,5-8H2,1-4H3,(H,17,18)
InChIKeyLOBMQGWOPRFFHR-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.13
Rot. Bonds7

About 3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide

3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide (PubChem CID 17476236) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
PubChem CID17476236
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C15H24N2O3S/c1-5-6-7-8-17-15(18)13-9-11(2)12(3)14(10-13)21(19,20)16-4/h9-10,16H,5-8H2,1-4H3,(H,17,18)
InChIKeyLOBMQGWOPRFFHR-UHFFFAOYSA-N
XLogP2.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.13
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

N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27680670
3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
CID 27539196
N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27838680
N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 78856270
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
3,4-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-5-(methylsulfamoyl)benzamide
CID 55514061
N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 41365156
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
CID 46426611
3,4-dimethyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-(methylsulfamoyl)benzamide
CID 46402933
N-hexyl-3,4-dimethylbenzamide
CID 4523484

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide?
The IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide (CID 17476236) is 3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide.
What is the SMILES notation for 3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide?
The canonical SMILES for 3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide is CCCCCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1.
What is the InChIKey of 3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide?
The InChIKey is LOBMQGWOPRFFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-6-7-8-17-15(18)13-9-11(2)12(3)14(10-13)21(19,20)16-4/h9-10,16H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide?
3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide is sourced from PubChem (CID 17476236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).