[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate

C12H15NO5S — CID 8654437

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESCCOC(=O)NC(=O)COC(=O)CCc1ccsc1
InChIInChI=1S/C12H15NO5S/c1-2-17-12(16)13-10(14)7-18-11(15)4-3-9-5-6-19-8-9/h5-6,8H,2-4,7H2,1H3,(H,13,14,16)
InChIKeyXPVUOOLWVAVNLF-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.50
Rot. Bonds6

About [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate (PubChem CID 8654437) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
PubChem CID8654437
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESCCOC(=O)NC(=O)COC(=O)CCc1ccsc1
InChIInChI=1S/C12H15NO5S/c1-2-17-12(16)13-10(14)7-18-11(15)4-3-9-5-6-19-8-9/h5-6,8H,2-4,7H2,1H3,(H,13,14,16)
InChIKeyXPVUOOLWVAVNLF-UHFFFAOYSA-N
XLogP1.50
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate 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-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8611109
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-thiophen-3-ylpropanoate
CID 30060919
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610928
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610869
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631061
ethyl 2-[[2-(3-thiophen-3-ylpropanoyloxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 8611343
methyl 4-methyl-3-[[2-(3-thiophen-3-ylpropanoyloxy)acetyl]amino]benzoate
CID 8654333
ethyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 64579329
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631052
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610634
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate (CID 8654437) is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate is CCOC(=O)NC(=O)COC(=O)CCc1ccsc1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The InChIKey is XPVUOOLWVAVNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-2-17-12(16)13-10(14)7-18-11(15)4-3-9-5-6-19-8-9/h5-6,8H,2-4,7H2,1H3,(H,13,14,16).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate has a molecular weight of 285.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate is sourced from PubChem (CID 8654437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).