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

C11H13NO5S — CID 4668327

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCCOC(=O)NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C11H13NO5S/c1-2-16-11(15)12-9(13)6-17-10(14)5-8-3-4-18-7-8/h3-4,7H,2,5-6H2,1H3,(H,12,13,15)
InChIKeyBKFNQUQTMGRNDM-UHFFFAOYSA-N
MW271.29 g/mol
LogP1.11
Rot. Bonds5

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

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 4668327) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID4668327
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCCOC(=O)NC(=O)COC(=O)Cc1ccsc1
InChIInChI=1S/C11H13NO5S/c1-2-16-11(15)12-9(13)6-17-10(14)5-8-3-4-18-7-8/h3-4,7H,2,5-6H2,1H3,(H,12,13,15)
InChIKeyBKFNQUQTMGRNDM-UHFFFAOYSA-N
XLogP1.11
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8654437
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 7968657
[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591089
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080472
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9323185
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3889598
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate
CID 2344902
[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate
CID 101245181
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080532
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9417359
dimethyl 2-[[2-(2-thiophen-3-ylacetyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 2338009

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 4668327) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is CCOC(=O)NC(=O)COC(=O)Cc1ccsc1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is BKFNQUQTMGRNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-2-16-11(15)12-9(13)6-17-10(14)5-8-3-4-18-7-8/h3-4,7H,2,5-6H2,1H3,(H,12,13,15).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 271.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 4668327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).