(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide

C16H16N2O3S — CID 51280623

IUPAC(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
SMILESCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3S/c1-17-22(20,21)15-10-7-13(8-11-15)9-12-16(19)18-14-5-3-2-4-6-14/h2-12,17H,1H3,(H,18,19)/b12-9+
InChIKeyJMRMZZIPVSMRCW-FMIVXFBMSA-N
MW316.38 g/mol
LogP2.25
Rot. Bonds5

About (E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide

(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide (PubChem CID 51280623) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is (E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
PubChem CID51280623
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
SMILESCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3S/c1-17-22(20,21)15-10-7-13(8-11-15)9-12-16(19)18-14-5-3-2-4-6-14/h2-12,17H,1H3,(H,18,19)/b12-9+
InChIKeyJMRMZZIPVSMRCW-FMIVXFBMSA-N
XLogP2.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.25
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

(E)-3-[4-(methylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 25391728
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
(E)-3-(3,4-dichlorophenyl)-N-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9219752
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
(E)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 55555607
N-[4-(1-methylbenzimidazol-2-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 72685656
(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 40597066
(Z)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 2179282
(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30308521
(E)-3-[4-(methylsulfamoyl)phenyl]-N-[4-(1,3-thiazol-2-yl)phenyl]prop-2-enamide
CID 34552188
N-[4-(1H-imidazol-2-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 76879147

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide (CID 51280623) is (E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide is CNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide?
The InChIKey is JMRMZZIPVSMRCW-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-17-22(20,21)15-10-7-13(8-11-15)9-12-16(19)18-14-5-3-2-4-6-14/h2-12,17H,1H3,(H,18,19)/b12-9+.
What are the key properties of (E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide?
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide has a molecular weight of 316.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide is sourced from PubChem (CID 51280623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).