3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide

C15H24N2O3S — CID 110295894

IUPAC3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-5-6-7-10-16-15(18)13-9-8-12(2)14(11-13)21(19,20)17(3)4/h8-9,11H,5-7,10H2,1-4H3,(H,16,18)
InChIKeyZRBKGHHPIQOVAL-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.17
Rot. Bonds7

About 3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide

3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide (PubChem CID 110295894) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
PubChem CID110295894
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-5-6-7-10-16-15(18)13-9-8-12(2)14(11-13)21(19,20)17(3)4/h8-9,11H,5-7,10H2,1-4H3,(H,16,18)
InChIKeyZRBKGHHPIQOVAL-UHFFFAOYSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide
CID 110288744
N-hexyl-3,4-dimethylbenzamide
CID 4523484
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 110295892
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322
3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 110642402
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 110660579
N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50945543

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide (CID 110295894) is 3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide is CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide?
The InChIKey is ZRBKGHHPIQOVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-6-7-10-16-15(18)13-9-8-12(2)14(11-13)21(19,20)17(3)4/h8-9,11H,5-7,10H2,1-4H3,(H,16,18).
What are the key properties of 3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide?
3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide is sourced from PubChem (CID 110295894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).