4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one

C14H13FN2O2S — CID 54420332

IUPAC4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one
SMILESNC(COc1ccc(F)c2c1CC(=O)N2)c1cccs1
InChIInChI=1S/C14H13FN2O2S/c15-9-3-4-11(8-6-13(18)17-14(8)9)19-7-10(16)12-2-1-5-20-12/h1-5,10H,6-7,16H2,(H,17,18)
InChIKeyWAIVWUHCJDKVAZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.46
Rot. Bonds4

About 4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one

4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 54420332) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one
PubChem CID54420332
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one
SMILESNC(COc1ccc(F)c2c1CC(=O)N2)c1cccs1
InChIInChI=1S/C14H13FN2O2S/c15-9-3-4-11(8-6-13(18)17-14(8)9)19-7-10(16)12-2-1-5-20-12/h1-5,10H,6-7,16H2,(H,17,18)
InChIKeyWAIVWUHCJDKVAZ-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one (CID 54420332) is 4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one is NC(COc1ccc(F)c2c1CC(=O)N2)c1cccs1.
What is the InChIKey of 4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is WAIVWUHCJDKVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-9-3-4-11(8-6-13(18)17-14(8)9)19-7-10(16)12-2-1-5-20-12/h1-5,10H,6-7,16H2,(H,17,18).
What are the key properties of 4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one?
4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 292.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-thiophen-2-ylethoxy)-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 54420332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).