(E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide

C22H26N4O3S — CID 78869823

IUPAC(E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)/C=C/c1cccc(C#N)c1
InChIInChI=1S/C22H26N4O3S/c1-4-24-20-12-11-19(30(28,29)26(5-2)6-3)15-21(20)25-22(27)13-10-17-8-7-9-18(14-17)16-23/h7-15,24H,4-6H2,1-3H3,(H,25,27)/b13-10+
InChIKeyLHQJJCLJFRIMPT-JLHYYAGUSA-N
MW426.54 g/mol
LogP3.67
Rot. Bonds9

About (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide

(E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide (PubChem CID 78869823) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide
PubChem CID78869823
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name(E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)/C=C/c1cccc(C#N)c1
InChIInChI=1S/C22H26N4O3S/c1-4-24-20-12-11-19(30(28,29)26(5-2)6-3)15-21(20)25-22(27)13-10-17-8-7-9-18(14-17)16-23/h7-15,24H,4-6H2,1-3H3,(H,25,27)/b13-10+
InChIKeyLHQJJCLJFRIMPT-JLHYYAGUSA-N
XLogP3.67
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]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)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 78848236
N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 71904739
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 7688971
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313
(3-cyanophenyl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 8815990
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
(E)-3-(3-cyanophenyl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]prop-2-enamide
CID 96539648
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
(E)-3-[3-(diethylsulfamoyl)phenyl]prop-2-enoic acid
CID 109375261

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide (CID 78869823) is (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)/C=C/c1cccc(C#N)c1.
What is the InChIKey of (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide?
The InChIKey is LHQJJCLJFRIMPT-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-24-20-12-11-19(30(28,29)26(5-2)6-3)15-21(20)25-22(27)13-10-17-8-7-9-18(14-17)16-23/h7-15,24H,4-6H2,1-3H3,(H,25,27)/b13-10+.
What are the key properties of (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide?
(E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide has a molecular weight of 426.54 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 78869823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).