[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate

C13H13NO3S2 — CID 2693114

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NCc2cccs2)s1
InChIInChI=1S/C13H13NO3S2/c1-9-4-5-11(19-9)13(16)17-8-12(15)14-7-10-3-2-6-18-10/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyIWUXZCXWMRMDFB-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.59
Rot. Bonds5

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2693114) has the molecular formula C13H13NO3S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate
PubChem CID2693114
Molecular FormulaC13H13NO3S2
Molecular Weight295.38 g/mol
Exact Mass295.03
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NCc2cccs2)s1
InChIInChI=1S/C13H13NO3S2/c1-9-4-5-11(19-9)13(16)17-8-12(15)14-7-10-3-2-6-18-10/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyIWUXZCXWMRMDFB-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.59
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] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate (CID 2693114) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)NCc2cccs2)s1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is IWUXZCXWMRMDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-9-4-5-11(19-9)13(16)17-8-12(15)14-7-10-3-2-6-18-10/h2-6H,7-8H2,1H3,(H,14,15).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 2.59, 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] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2693114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).