3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide

C18H20N2O3S — CID 109062454

IUPAC3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C18H20N2O3S/c1-4-11-19-18(21)15-9-6-10-16(12-15)24(22,23)20-17-13(2)7-5-8-14(17)3/h4-10,12,20H,1,11H2,2-3H3,(H,19,21)
InChIKeyJHZKFUVLTGNNCN-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.02
Rot. Bonds6

About 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide

3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 109062454) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID109062454
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C18H20N2O3S/c1-4-11-19-18(21)15-9-6-10-16(12-15)24(22,23)20-17-13(2)7-5-8-14(17)3/h4-10,12,20H,1,11H2,2-3H3,(H,19,21)
InChIKeyJHZKFUVLTGNNCN-UHFFFAOYSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 86879597
4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058483
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412
3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062466
N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 109062473
3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 26641485
3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide
CID 97268880
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 55871543
3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34743144

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide (CID 109062454) is 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is JHZKFUVLTGNNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-4-11-19-18(21)15-9-6-10-16(12-15)24(22,23)20-17-13(2)7-5-8-14(17)3/h4-10,12,20H,1,11H2,2-3H3,(H,19,21).
What are the key properties of 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 109062454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).