(E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C20H22N2O5S — CID 1108165

IUPAC(E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H22N2O5S/c1-26-18-7-2-16(3-8-18)4-11-20(23)21-17-5-9-19(10-6-17)28(24,25)22-12-14-27-15-13-22/h2-11H,12-15H2,1H3,(H,21,23)/b11-4+
InChIKeyBCAQHOJDZPZNOB-NYYWCZLTSA-N
MW402.47 g/mol
LogP2.37
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 1108165) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID1108165
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H22N2O5S/c1-26-18-7-2-16(3-8-18)4-11-20(23)21-17-5-9-19(10-6-17)28(24,25)22-12-14-27-15-13-22/h2-11H,12-15H2,1H3,(H,21,23)/b11-4+
InChIKeyBCAQHOJDZPZNOB-NYYWCZLTSA-N
XLogP2.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)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

PG-116800
CID 9848869
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
(2E)-2-cyano-3-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070922
[2-Methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-acetamidobenzenesulfonate
CID 1796843
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371280
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 25981084
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 1108165) is (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is BCAQHOJDZPZNOB-NYYWCZLTSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-26-18-7-2-16(3-8-18)4-11-20(23)21-17-5-9-19(10-6-17)28(24,25)22-12-14-27-15-13-22/h2-11H,12-15H2,1H3,(H,21,23)/b11-4+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 402.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 1108165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).