[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate

C19H19NO4S — CID 7715959

IUPAC[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate
SMILESO=C(/C=C/c1ccsc1)O[C@@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C19H19NO4S/c21-17(7-6-15-8-13-25-14-15)24-18(16-4-2-1-3-5-16)19(22)20-9-11-23-12-10-20/h1-8,13-14,18H,9-12H2/b7-6+/t18-/m1/s1
InChIKeyCXXWURHGIYNATC-IPLHWJFFSA-N
MW357.43 g/mol
LogP2.90
Rot. Bonds5

About [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate

[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate (PubChem CID 7715959) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate.

Molecular Properties

Compound Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate
PubChem CID7715959
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate
SMILESO=C(/C=C/c1ccsc1)O[C@@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C19H19NO4S/c21-17(7-6-15-8-13-25-14-15)24-18(16-4-2-1-3-5-16)19(22)20-9-11-23-12-10-20/h1-8,13-14,18H,9-12H2/b7-6+/t18-/m1/s1
InChIKeyCXXWURHGIYNATC-IPLHWJFFSA-N
XLogP2.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 45355303
[(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate
CID 74224421
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7550178
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 7716147
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8567516
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7700496
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate
CID 8908487
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
CID 18123272
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate (CID 7715959) is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate.
What is the SMILES notation for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The canonical SMILES for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate is O=C(/C=C/c1ccsc1)O[C@@H](C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The InChIKey is CXXWURHGIYNATC-IPLHWJFFSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-17(7-6-15-8-13-25-14-15)24-18(16-4-2-1-3-5-16)19(22)20-9-11-23-12-10-20/h1-8,13-14,18H,9-12H2/b7-6+/t18-/m1/s1.
What are the key properties of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate?
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate has a molecular weight of 357.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate is sourced from PubChem (CID 7715959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).