7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one

C14H13FN2O2S — CID 58879826

IUPAC7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNc3ccsc3)ccc(F)c2N1
InChIInChI=1S/C14H13FN2O2S/c15-11-1-2-12(10-7-13(18)17-14(10)11)19-5-4-16-9-3-6-20-8-9/h1-3,6,8,16H,4-5,7H2,(H,17,18)
InChIKeyBSUGILRADRBRSA-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.87
Rot. Bonds5

About 7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one

7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one (PubChem CID 58879826) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one
PubChem CID58879826
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNc3ccsc3)ccc(F)c2N1
InChIInChI=1S/C14H13FN2O2S/c15-11-1-2-12(10-7-13(18)17-14(10)11)19-5-4-16-9-3-6-20-8-9/h1-3,6,8,16H,4-5,7H2,(H,17,18)
InChIKeyBSUGILRADRBRSA-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one (CID 58879826) is 7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNc3ccsc3)ccc(F)c2N1.
What is the InChIKey of 7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is BSUGILRADRBRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-11-1-2-12(10-7-13(18)17-14(10)11)19-5-4-16-9-3-6-20-8-9/h1-3,6,8,16H,4-5,7H2,(H,17,18).
What are the key properties of 7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one?
7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 292.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 58879826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).