N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

C18H18N2O3S — CID 2262661

IUPACN-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1cccs1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-17(14-5-2-1-3-6-14)19-16(13-15-7-4-12-24-15)18(22)20-8-10-23-11-9-20/h1-7,12-13H,8-11H2,(H,19,21)/b16-13+
InChIKeyIROAFOTXKWTDFL-DTQAZKPQSA-N
MW342.42 g/mol
LogP2.38
Rot. Bonds4

About N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (PubChem CID 2262661) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
PubChem CID2262661
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1cccs1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-17(14-5-2-1-3-6-14)19-16(13-15-7-4-12-24-15)18(22)20-8-10-23-11-9-20/h1-7,12-13H,8-11H2,(H,19,21)/b16-13+
InChIKeyIROAFOTXKWTDFL-DTQAZKPQSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (CID 2262661) is N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is O=C(N/C(=C/c1cccs1)C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The InChIKey is IROAFOTXKWTDFL-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-17(14-5-2-1-3-6-14)19-16(13-15-7-4-12-24-15)18(22)20-8-10-23-11-9-20/h1-7,12-13H,8-11H2,(H,19,21)/b16-13+.
What are the key properties of N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide has a molecular weight of 342.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-morpholin-4-yl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2262661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).