5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide

C18H20N2O3S — CID 35154379

IUPAC5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C18H20N2O3S/c1-3-11-19-18(21)17-12-16(10-9-14(17)2)24(22,23)20-13-15-7-5-4-6-8-15/h3-10,12,20H,1,11,13H2,2H3,(H,19,21)
InChIKeyIMHIKWVLDOKBOZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.39
Rot. Bonds7

About 5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide

5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide (PubChem CID 35154379) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
PubChem CID35154379
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C18H20N2O3S/c1-3-11-19-18(21)17-12-16(10-9-14(17)2)24(22,23)20-13-15-7-5-4-6-8-15/h3-10,12,20H,1,11,13H2,2H3,(H,19,21)
InChIKeyIMHIKWVLDOKBOZ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51166535
5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
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5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
4-methyl-3-(prop-2-enylcarbamoyl)benzenesulfonyl chloride
CID 61292327
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide
CID 55638308
5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27859379
5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 55948933
5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 34543324

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide (CID 35154379) is 5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C.
What is the InChIKey of 5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide?
The InChIKey is IMHIKWVLDOKBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-11-19-18(21)17-12-16(10-9-14(17)2)24(22,23)20-13-15-7-5-4-6-8-15/h3-10,12,20H,1,11,13H2,2H3,(H,19,21).
What are the key properties of 5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide?
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 35154379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).