[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate

C12H11NO3S2 — CID 2364705

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCc1cccs1
InChIInChI=1S/C12H11NO3S2/c14-11(13-7-9-3-1-5-17-9)8-16-12(15)10-4-2-6-18-10/h1-6H,7-8H2,(H,13,14)
InChIKeyVWNPGTLKFBBQSZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.28
Rot. Bonds5

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate (PubChem CID 2364705) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate
PubChem CID2364705
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCc1cccs1
InChIInChI=1S/C12H11NO3S2/c14-11(13-7-9-3-1-5-17-9)8-16-12(15)10-4-2-6-18-10/h1-6H,7-8H2,(H,13,14)
InChIKeyVWNPGTLKFBBQSZ-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate (CID 2364705) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate?
The InChIKey is VWNPGTLKFBBQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S2/c14-11(13-7-9-3-1-5-17-9)8-16-12(15)10-4-2-6-18-10/h1-6H,7-8H2,(H,13,14).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2364705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).