4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide

C18H20N2O4S — CID 9419122

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-13-19-18(21)14-5-11-17(12-6-14)25(22,23)20-15-7-9-16(10-8-15)24-4-2/h3,5-12,20H,1,4,13H2,2H3,(H,19,21)
InChIKeyHAGWPYFEBBNWAQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.80
Rot. Bonds8

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 9419122) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID9419122
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-13-19-18(21)14-5-11-17(12-6-14)25(22,23)20-15-7-9-16(10-8-15)24-4-2/h3,5-12,20H,1,4,13H2,2H3,(H,19,21)
InChIKeyHAGWPYFEBBNWAQ-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

ethyl 4-[[4-(prop-2-enylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109058528
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
CID 35154636
4-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742507
N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30874214

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide (CID 9419122) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is HAGWPYFEBBNWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-13-19-18(21)14-5-11-17(12-6-14)25(22,23)20-15-7-9-16(10-8-15)24-4-2/h3,5-12,20H,1,4,13H2,2H3,(H,19,21).
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide?
4-[(4-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 4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 9419122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).