(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide

C18H20N2O3S — CID 41266696

IUPAC(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-20(2)24(22,23)17-11-7-6-10-16(17)14-19-18(21)13-12-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,19,21)/b13-12+
InChIKeyWYVRWCSGMAUEIJ-OUKQBFOZSA-N
MW344.44 g/mol
LogP2.27
Rot. Bonds6

About (E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide

(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide (PubChem CID 41266696) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide
PubChem CID41266696
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-20(2)24(22,23)17-11-7-6-10-16(17)14-19-18(21)13-12-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,19,21)/b13-12+
InChIKeyWYVRWCSGMAUEIJ-OUKQBFOZSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 24614000
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 39896084
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 46553076
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 41267079
cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 26247678
(E)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 60590533
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 41267097
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 55496415
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide (CID 41266696) is (E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide?
The InChIKey is WYVRWCSGMAUEIJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-20(2)24(22,23)17-11-7-6-10-16(17)14-19-18(21)13-12-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,19,21)/b13-12+.
What are the key properties of (E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide has a molecular weight of 344.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 41266696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).