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

C16H17FN2O2S2 — CID 10665711

IUPAC7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(F)ccc(OCCNCc3ccsc3)c21
InChIInChI=1S/C16H17FN2O2S2/c1-22-15-13-12(3-2-11(17)14(13)19-16(15)20)21-6-5-18-8-10-4-7-23-9-10/h2-4,7,9,15,18H,5-6,8H2,1H3,(H,19,20)
InChIKeyMIEMMMCFMSULNR-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.41
Rot. Bonds7

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

7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10665711) has the molecular formula C16H17FN2O2S2 and a molecular weight of 352.46 g/mol. Its IUPAC name is 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
PubChem CID10665711
Molecular FormulaC16H17FN2O2S2
Molecular Weight352.46 g/mol
Exact Mass352.07
IUPAC Name7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(F)ccc(OCCNCc3ccsc3)c21
InChIInChI=1S/C16H17FN2O2S2/c1-22-15-13-12(3-2-11(17)14(13)19-16(15)20)21-6-5-18-8-10-4-7-23-9-10/h2-4,7,9,15,18H,5-6,8H2,1H3,(H,19,20)
InChIKeyMIEMMMCFMSULNR-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one (CID 10665711) is 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one is CSC1C(=O)Nc2c(F)ccc(OCCNCc3ccsc3)c21.
What is the InChIKey of 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is MIEMMMCFMSULNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S2/c1-22-15-13-12(3-2-11(17)14(13)19-16(15)20)21-6-5-18-8-10-4-7-23-9-10/h2-4,7,9,15,18H,5-6,8H2,1H3,(H,19,20).
What are the key properties of 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one?
7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 352.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10665711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).