N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide

C18H20N2O3S — CID 31263349

IUPACN-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC)c1
InChIInChI=1S/C18H20N2O3S/c1-3-12-19-24(22,23)16-10-7-9-15(13-16)18(21)20-17-11-6-5-8-14(17)4-2/h3,5-11,13,19H,1,4,12H2,2H3,(H,20,21)
InChIKeyOJMUOHOBDOIXQD-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.97
Rot. Bonds7

About N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide

N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 31263349) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID31263349
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC)c1
InChIInChI=1S/C18H20N2O3S/c1-3-12-19-24(22,23)16-10-7-9-15(13-16)18(21)20-17-11-6-5-8-14(17)4-2/h3,5-11,13,19H,1,4,12H2,2H3,(H,20,21)
InChIKeyOJMUOHOBDOIXQD-UHFFFAOYSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.97
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-(prop-2-enylsulfamoyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 52799360
3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30497083
3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109062412
N-(2-ethylphenyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064805
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442928
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide (CID 31263349) is N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC)c1.
What is the InChIKey of N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is OJMUOHOBDOIXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-12-19-24(22,23)16-10-7-9-15(13-16)18(21)20-17-11-6-5-8-14(17)4-2/h3,5-11,13,19H,1,4,12H2,2H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 344.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 31263349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).