[2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C12H15NO4S — CID 3977672

IUPAC[2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCCNC(=O)COC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C12H15NO4S/c1-2-13-11(15)8-17-12(16)6-5-9(14)10-4-3-7-18-10/h3-4,7H,2,5-6,8H2,1H3,(H,13,15)
InChIKeyCDDQAQPBRRMWHR-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.39
Rot. Bonds7

About [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 3977672) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID3977672
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name[2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCCNC(=O)COC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C12H15NO4S/c1-2-13-11(15)8-17-12(16)6-5-9(14)10-4-3-7-18-10/h3-4,7H,2,5-6,8H2,1H3,(H,13,15)
InChIKeyCDDQAQPBRRMWHR-UHFFFAOYSA-N
XLogP1.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate 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

[2-(Methylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2364043
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2364522
[2-(Cyclopropylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2365065
[2-Oxo-2-(prop-2-enylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4299310
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2103833
[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2383250
[2-(Benzylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2465528
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3269340
[2-(Tert-butylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3280828
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 5053667
2-(3,5-Dimethyl-1-piperidinyl)-2-oxoethyl gamma-oxo-2-thiophenebutanoate
CID 5079617
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2404844

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 3977672) is [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is CCNC(=O)COC(=O)CCC(=O)c1cccs1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is CDDQAQPBRRMWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-2-13-11(15)8-17-12(16)6-5-9(14)10-4-3-7-18-10/h3-4,7H,2,5-6,8H2,1H3,(H,13,15).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 269.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 3977672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).