(E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide

C21H23N3O3S — CID 55464461

IUPAC(E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccccc2C#N)ccc1C
InChIInChI=1S/C21H23N3O3S/c1-4-24(5-2)28(26,27)20-14-19(12-10-16(20)3)23-21(25)13-11-17-8-6-7-9-18(17)15-22/h6-14H,4-5H2,1-3H3,(H,23,25)/b13-11+
InChIKeyIUPUDDINERUWNZ-ACCUITESSA-N
MW397.50 g/mol
LogP3.55
Rot. Bonds7

About (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide

(E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide (PubChem CID 55464461) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
PubChem CID55464461
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name(E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccccc2C#N)ccc1C
InChIInChI=1S/C21H23N3O3S/c1-4-24(5-2)28(26,27)20-14-19(12-10-16(20)3)23-21(25)13-11-17-8-6-7-9-18(17)15-22/h6-14H,4-5H2,1-3H3,(H,23,25)/b13-11+
InChIKeyIUPUDDINERUWNZ-ACCUITESSA-N
XLogP3.55
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-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)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 31253612
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 3371220
(E)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 18200405
4-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55892218
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
(E)-N-(1-benzothiophen-5-yl)-3-(2-cyanophenyl)prop-2-enamide
CID 55477748
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43019548
N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46817764

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide (CID 55464461) is (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2ccccc2C#N)ccc1C.
What is the InChIKey of (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
The InChIKey is IUPUDDINERUWNZ-ACCUITESSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-24(5-2)28(26,27)20-14-19(12-10-16(20)3)23-21(25)13-11-17-8-6-7-9-18(17)15-22/h6-14H,4-5H2,1-3H3,(H,23,25)/b13-11+.
What are the key properties of (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide?
(E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide has a molecular weight of 397.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide is sourced from PubChem (CID 55464461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).