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

C14H20N2O3S — CID 47143995

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O3S/c1-11(2)9-14(17)15-10-12-7-5-6-8-13(12)20(18,19)16(3)4/h5-9H,10H2,1-4H3,(H,15,17)
InChIKeyOGQZAOYRWLPAFO-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.52
Rot. Bonds5

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

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide (PubChem CID 47143995) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
PubChem CID47143995
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O3S/c1-11(2)9-14(17)15-10-12-7-5-6-8-13(12)20(18,19)16(3)4/h5-9H,10H2,1-4H3,(H,15,17)
InChIKeyOGQZAOYRWLPAFO-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(dimethylsulfamoyl)phenyl]methyl]-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

(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide
CID 41266696
(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 24614000
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
N-[(2-chlorophenyl)methyl]-3-methylbut-2-enamide
CID 51072646
cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 26247678
2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29449798
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-pentylurea
CID 134001741
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41430913

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide (CID 47143995) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide?
The InChIKey is OGQZAOYRWLPAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(2)9-14(17)15-10-12-7-5-6-8-13(12)20(18,19)16(3)4/h5-9H,10H2,1-4H3,(H,15,17).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide has a molecular weight of 296.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide is sourced from PubChem (CID 47143995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).