[2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate

C15H11NO3S — CID 2689686

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C15H11NO3S/c17-13(9-19-15(18)14-6-3-7-20-14)11-8-16-12-5-2-1-4-10(11)12/h1-8,16H,9H2
InChIKeyJRJGREJJPDEUCW-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.27
Rot. Bonds4

About [2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate

[2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2689686) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2689686
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C15H11NO3S/c17-13(9-19-15(18)14-6-3-7-20-14)11-8-16-12-5-2-1-4-10(11)12/h1-8,16H,9H2
InChIKeyJRJGREJJPDEUCW-UHFFFAOYSA-N
XLogP3.27
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate (CID 2689686) is [2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate is O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccs1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is JRJGREJJPDEUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-13(9-19-15(18)14-6-3-7-20-14)11-8-16-12-5-2-1-4-10(11)12/h1-8,16H,9H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate?
[2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2689686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).