4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide

C19H22N2O3S — CID 109058483

IUPAC4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1
InChIInChI=1S/C19H22N2O3S/c1-4-13-20-19(22)16-9-11-17(12-10-16)25(23,24)21-18-14(3)7-6-8-15(18)5-2/h4,6-12,21H,1,5,13H2,2-3H3,(H,20,22)
InChIKeyLERLQXQGQJDAKE-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.27
Rot. Bonds7

About 4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide

4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 109058483) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID109058483
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1
InChIInChI=1S/C19H22N2O3S/c1-4-13-20-19(22)16-9-11-17(12-10-16)25(23,24)21-18-14(3)7-6-8-15(18)5-2/h4,6-12,21H,1,5,13H2,2-3H3,(H,20,22)
InChIKeyLERLQXQGQJDAKE-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
ethyl 4-[[4-(prop-2-enylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109058528
N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 112770779
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109059730
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
4-(cyclopropylsulfamoyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 109058401

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide (CID 109058483) is 4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1.
What is the InChIKey of 4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is LERLQXQGQJDAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-13-20-19(22)16-9-11-17(12-10-16)25(23,24)21-18-14(3)7-6-8-15(18)5-2/h4,6-12,21H,1,5,13H2,2-3H3,(H,20,22).
What are the key properties of 4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 109058483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).