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

C17H16N2O4S — CID 884609

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C17H16N2O4S/c1-13(20)19-24(22,23)16-10-8-15(9-11-16)18-17(21)12-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,18,21)(H,19,20)
InChIKeyMVBNPJFGLVCAJF-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.16
Rot. Bonds5

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

N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 884609) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
PubChem CID884609
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C17H16N2O4S/c1-13(20)19-24(22,23)16-10-8-15(9-11-16)18-17(21)12-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,18,21)(H,19,20)
InChIKeyMVBNPJFGLVCAJF-UHFFFAOYSA-N
XLogP2.16
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552104
N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide
CID 1370866
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1290295
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
(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
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1106549
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 6261465
N-[4-(acetylcarbamothioylamino)phenyl]-3-phenylprop-2-enamide
CID 960900

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide (CID 884609) is N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is MVBNPJFGLVCAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-13(20)19-24(22,23)16-10-8-15(9-11-16)18-17(21)12-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide?
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 344.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 884609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).