3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide

C18H20N2O4S — CID 109062466

IUPAC3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C18H20N2O4S/c1-3-12-19-18(21)14-8-7-9-15(13-14)25(22,23)20-16-10-5-6-11-17(16)24-4-2/h3,5-11,13,20H,1,4,12H2,2H3,(H,19,21)
InChIKeyABRMTFWOGOWJCW-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.80
Rot. Bonds8

About 3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide

3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 109062466) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID109062466
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C18H20N2O4S/c1-3-12-19-18(21)14-8-7-9-15(13-14)25(22,23)20-16-10-5-6-11-17(16)24-4-2/h3,5-11,13,20H,1,4,12H2,2H3,(H,19,21)
InChIKeyABRMTFWOGOWJCW-UHFFFAOYSA-N
XLogP2.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 26641485
2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34743144
N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 109062473
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
3-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 86949018
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide (CID 109062466) is 3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OCC)c1.
What is the InChIKey of 3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is ABRMTFWOGOWJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-12-19-18(21)14-8-7-9-15(13-14)25(22,23)20-16-10-5-6-11-17(16)24-4-2/h3,5-11,13,20H,1,4,12H2,2H3,(H,19,21).
What are the key properties of 3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 109062466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).