3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide

C14H20N2O3S — CID 26715230

IUPAC3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H20N2O3S/c1-10(2)9-14(17)15-12-5-7-13(8-6-12)20(18,19)16-11(3)4/h5-9,11,16H,1-4H3,(H,15,17)
InChIKeySBVATOQJWJZIGK-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.28
Rot. Bonds5

About 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide

3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide (PubChem CID 26715230) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
PubChem CID26715230
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
SMILESCC(C)=CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H20N2O3S/c1-10(2)9-14(17)15-12-5-7-13(8-6-12)20(18,19)16-11(3)4/h5-9,11,16H,1-4H3,(H,15,17)
InChIKeySBVATOQJWJZIGK-UHFFFAOYSA-N
XLogP2.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-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

[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 3-methylbut-2-enoate
CID 42901186
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide
CID 42998725
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315
N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide
CID 47232028
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
ethyl (E)-4-oxo-4-[4-(propan-2-ylsulfamoyl)anilino]but-2-enoate
CID 6231812
(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 9219372
5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 79194887
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide (CID 26715230) is 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide is CC(C)=CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide?
The InChIKey is SBVATOQJWJZIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)9-14(17)15-12-5-7-13(8-6-12)20(18,19)16-11(3)4/h5-9,11,16H,1-4H3,(H,15,17).
What are the key properties of 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide?
3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide has a molecular weight of 296.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide is sourced from PubChem (CID 26715230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).