(E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one

C17H17NO2S — CID 17432981

IUPAC(E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccccc2)s1)N1CCOCC1
InChIInChI=1S/C17H17NO2S/c19-17(18-10-12-20-13-11-18)9-7-15-6-8-16(21-15)14-4-2-1-3-5-14/h1-9H,10-13H2/b9-7+
InChIKeyGAIKIPXWBIJWLO-VQHVLOKHSA-N
MW299.40 g/mol
LogP3.29
Rot. Bonds3

About (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one

(E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one (PubChem CID 17432981) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
PubChem CID17432981
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name(E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccccc2)s1)N1CCOCC1
InChIInChI=1S/C17H17NO2S/c19-17(18-10-12-20-13-11-18)9-7-15-6-8-16(21-15)14-4-2-1-3-5-14/h1-9H,10-13H2/b9-7+
InChIKeyGAIKIPXWBIJWLO-VQHVLOKHSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one 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)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
CID 9303530
3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 76872983
1-(3-hydroxypiperidin-1-yl)-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
CID 110880467
N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide
CID 26462653
(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 47116505
N-(4-morpholin-4-ylbutan-2-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 103599724
1-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
CID 72688380
(Z)-3-(2,6-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 2169518
4-[3-[5-(4-bromophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide
CID 76878572
4-[3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide
CID 78905980
(E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 57382500
3-(2-iodophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 123233908

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one (CID 17432981) is (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccccc2)s1)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one?
The InChIKey is GAIKIPXWBIJWLO-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-17(18-10-12-20-13-11-18)9-7-15-6-8-16(21-15)14-4-2-1-3-5-14/h1-9H,10-13H2/b9-7+.
What are the key properties of (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one?
(E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one has a molecular weight of 299.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 17432981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).