[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate

C18H17NO4S — CID 6266771

IUPAC[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate
SMILESO=C(/C=C/c1cccs1)c1ccc(OC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H17NO4S/c20-17(8-7-16-2-1-13-24-16)14-3-5-15(6-4-14)23-18(21)19-9-11-22-12-10-19/h1-8,13H,9-12H2/b8-7+
InChIKeyPVWNYVQOVSDCLV-BQYQJAHWSA-N
MW343.40 g/mol
LogP3.48
Rot. Bonds4

About [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate

[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate (PubChem CID 6266771) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate
PubChem CID6266771
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate
SMILESO=C(/C=C/c1cccs1)c1ccc(OC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H17NO4S/c20-17(8-7-16-2-1-13-24-16)14-3-5-15(6-4-14)23-18(21)19-9-11-22-12-10-19/h1-8,13H,9-12H2/b8-7+
InChIKeyPVWNYVQOVSDCLV-BQYQJAHWSA-N
XLogP3.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.48
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

[4-(3-thiophen-2-ylprop-2-enoyl)phenyl] 4-bromobenzoate
CID 3547433
(E)-3-thiophen-2-yl-1-[4-[3-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenoxy]propoxy]phenyl]prop-2-en-1-one
CID 139219859
(E)-3-thiophen-2-yl-1-[4-[4-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 139219860
(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 92909536
1-(4-aminophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 53405742
(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 92857757
(E)-1-[4-(2-chloroprop-2-enoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 52694949
N-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide
CID 903687
1-(4-pyrrolidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 4242357
[4-(3-thiophen-2-ylprop-2-enoyl)phenyl] 4-bromobenzenesulfonate
CID 4555687
(4-methylphenyl) 3-thiophen-2-ylprop-2-enoate
CID 4202391
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate?
The IUPAC name of [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate (CID 6266771) is [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate?
The canonical SMILES for [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate is O=C(/C=C/c1cccs1)c1ccc(OC(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate?
The InChIKey is PVWNYVQOVSDCLV-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H17NO4S/c20-17(8-7-16-2-1-13-24-16)14-3-5-15(6-4-14)23-18(21)19-9-11-22-12-10-19/h1-8,13H,9-12H2/b8-7+.
What are the key properties of [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate?
[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 6266771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).