3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide

C17H18N2O3S — CID 5176366

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-18-17(20)12-9-14-7-10-16(11-8-14)23(21,22)19-13-15-5-3-2-4-6-15/h2-12,19H,13H2,1H3,(H,18,20)
InChIKeyMZDPEOXEOOETMY-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.92
Rot. Bonds6

About 3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide

3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide (PubChem CID 5176366) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide
PubChem CID5176366
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-18-17(20)12-9-14-7-10-16(11-8-14)23(21,22)19-13-15-5-3-2-4-6-15/h2-12,19H,13H2,1H3,(H,18,20)
InChIKeyMZDPEOXEOOETMY-UHFFFAOYSA-N
XLogP1.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891
N-[4-(benzylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 4045248
(E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide
CID 164990335
3-[3-(benzylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019640
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 42992435
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
4-(benzylsulfamoyl)benzoate
CID 4743721
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 4928932
N-[5-[(Z)-2-[4-(benzylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394574
(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide
CID 6291291
N-benzyl-3-[(E)-4-hydroxy-3-oxobut-1-enyl]benzenesulfonamide
CID 159114117

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide (CID 5176366) is 3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide is CNC(=O)C=Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide?
The InChIKey is MZDPEOXEOOETMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-18-17(20)12-9-14-7-10-16(11-8-14)23(21,22)19-13-15-5-3-2-4-6-15/h2-12,19H,13H2,1H3,(H,18,20).
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide?
3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide has a molecular weight of 330.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 5176366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).