N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide

C13H16N2O4S — CID 47232028

IUPACN-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)C=C(C)C)cc1
InChIInChI=1S/C13H16N2O4S/c1-9(2)8-13(17)15-20(18,19)12-6-4-11(5-7-12)14-10(3)16/h4-8H,1-3H3,(H,14,16)(H,15,17)
InChIKeyHQLQYQJFGDHFST-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.42
Rot. Bonds4

About N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide

N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide (PubChem CID 47232028) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide
PubChem CID47232028
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)C=C(C)C)cc1
InChIInChI=1S/C13H16N2O4S/c1-9(2)8-13(17)15-20(18,19)12-6-4-11(5-7-12)14-10(3)16/h4-8H,1-3H3,(H,14,16)(H,15,17)
InChIKeyHQLQYQJFGDHFST-UHFFFAOYSA-N
XLogP1.42
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetamidophenyl)sulfonyl-3-methylbut-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

3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
CID 26715230
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
CID 102513773
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide
CID 42998725
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552104
N-[4-(prop-2-enylcarbamothioylsulfamoyl)phenyl]acetamide
CID 121011371
N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide
CID 1370866
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
4-acetamidobenzenesulfonic acid chloride
CID 53446633

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide?
The IUPAC name of N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide (CID 47232028) is N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide.
What is the SMILES notation for N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide?
The canonical SMILES for N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide is CC(=O)Nc1ccc(S(=O)(=O)NC(=O)C=C(C)C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide?
The InChIKey is HQLQYQJFGDHFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-9(2)8-13(17)15-20(18,19)12-6-4-11(5-7-12)14-10(3)16/h4-8H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide?
N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide has a molecular weight of 296.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide is sourced from PubChem (CID 47232028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).