5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one

C16H15NO3S — CID 2924457

IUPAC5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
SMILESCCc1ccc2c(c1)C(O)(CC(=O)c1cccs1)C(=O)N2
InChIInChI=1S/C16H15NO3S/c1-2-10-5-6-12-11(8-10)16(20,15(19)17-12)9-13(18)14-4-3-7-21-14/h3-8,20H,2,9H2,1H3,(H,17,19)
InChIKeyYCQASDRTRIYQOE-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.72
Rot. Bonds4

About 5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one

5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one (PubChem CID 2924457) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
PubChem CID2924457
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
SMILESCCc1ccc2c(c1)C(O)(CC(=O)c1cccs1)C(=O)N2
InChIInChI=1S/C16H15NO3S/c1-2-10-5-6-12-11(8-10)16(20,15(19)17-12)9-13(18)14-4-3-7-21-14/h3-8,20H,2,9H2,1H3,(H,17,19)
InChIKeyYCQASDRTRIYQOE-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The IUPAC name of 5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one (CID 2924457) is 5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one.
What is the SMILES notation for 5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The canonical SMILES for 5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one is CCc1ccc2c(c1)C(O)(CC(=O)c1cccs1)C(=O)N2.
What is the InChIKey of 5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
The InChIKey is YCQASDRTRIYQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-2-10-5-6-12-11(8-10)16(20,15(19)17-12)9-13(18)14-4-3-7-21-14/h3-8,20H,2,9H2,1H3,(H,17,19).
What are the key properties of 5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one?
5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one has a molecular weight of 301.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one is sourced from PubChem (CID 2924457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).