N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide

C17H27N3O3S — CID 30659892

IUPACN-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C=C(C)C)c1
InChIInChI=1S/C17H27N3O3S/c1-7-20(8-2)24(22,23)14-9-10-16(19(5)6)15(12-14)18-17(21)11-13(3)4/h9-12H,7-8H2,1-6H3,(H,18,21)
InChIKeyZJDYAJGPJQJDBE-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.69
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide

N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide (PubChem CID 30659892) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide
PubChem CID30659892
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C=C(C)C)c1
InChIInChI=1S/C17H27N3O3S/c1-7-20(8-2)24(22,23)14-9-10-16(19(5)6)15(12-14)18-17(21)11-13(3)4/h9-12H,7-8H2,1-6H3,(H,18,21)
InChIKeyZJDYAJGPJQJDBE-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-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

N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide
CID 25353442
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide
CID 8960845
(2S,3S)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51858919
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide
CID 4878392
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 41297263
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55396241
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100500584

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide (CID 30659892) is N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide is CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C=C(C)C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide?
The InChIKey is ZJDYAJGPJQJDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-7-20(8-2)24(22,23)14-9-10-16(19(5)6)15(12-14)18-17(21)11-13(3)4/h9-12H,7-8H2,1-6H3,(H,18,21).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide?
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide has a molecular weight of 353.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide is sourced from PubChem (CID 30659892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).