[2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

C11H13NO3S — CID 2119250

IUPAC[2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESCCNC(=O)COC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H13NO3S/c1-2-12-10(13)8-15-11(14)6-5-9-4-3-7-16-9/h3-7H,2,8H2,1H3,(H,12,13)/b6-5+
InChIKeyKCZPQYQUSPGOTH-AATRIKPKSA-N
MW239.30 g/mol
LogP1.44
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

[2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 2119250) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID2119250
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name[2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESCCNC(=O)COC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H13NO3S/c1-2-12-10(13)8-15-11(14)6-5-9-4-3-7-16-9/h3-7H,2,8H2,1H3,(H,12,13)/b6-5+
InChIKeyKCZPQYQUSPGOTH-AATRIKPKSA-N
XLogP1.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.44
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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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2386862
[2-(methylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2423459
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 5790220
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8653731
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2397565
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2346641
[2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2388181
[2-(carbamoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2410803
[(Z)-5-[[(2E,4E,6E)-7-thiophen-2-ylhepta-2,4,6-trienoyl]amino]pent-2-enyl] 3-methylbutanoate
CID 72696081
[2-oxo-2-(prop-2-enylamino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2413625
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2355410
(2-amino-2-oxoethyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 2381817

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (CID 2119250) is [2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is CCNC(=O)COC(=O)/C=C/c1cccs1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is KCZPQYQUSPGOTH-AATRIKPKSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-2-12-10(13)8-15-11(14)6-5-9-4-3-7-16-9/h3-7H,2,8H2,1H3,(H,12,13)/b6-5+.
What are the key properties of [2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
[2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 239.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2119250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).