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

C15H15FN2O2S2 — CID 10131948

IUPAC7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(F)ccc(OCCNc3ccsc3)c21
InChIInChI=1S/C15H15FN2O2S2/c1-21-14-12-11(3-2-10(16)13(12)18-15(14)19)20-6-5-17-9-4-7-22-8-9/h2-4,7-8,14,17H,5-6H2,1H3,(H,18,19)
InChIKeyNFCADPZFSYKPGS-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.73
Rot. Bonds6

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

7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10131948) has the molecular formula C15H15FN2O2S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one
PubChem CID10131948
Molecular FormulaC15H15FN2O2S2
Molecular Weight338.43 g/mol
Exact Mass338.06
IUPAC Name7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one
SMILESCSC1C(=O)Nc2c(F)ccc(OCCNc3ccsc3)c21
InChIInChI=1S/C15H15FN2O2S2/c1-21-14-12-11(3-2-10(16)13(12)18-15(14)19)20-6-5-17-9-4-7-22-8-9/h2-4,7-8,14,17H,5-6H2,1H3,(H,18,19)
InChIKeyNFCADPZFSYKPGS-UHFFFAOYSA-N
XLogP3.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 9840168
CID 9840168
CID 10638352
CID 10638352
CID 10662428
CID 10662428
CID 10663658
CID 10663658
CID 10822156
CID 10822156
CID 10358395
CID 10358395
CID 9900672
CID 9900672
CID 10665711
CID 10665711
CID 54420332
CID 54420332
CID 57153699
CID 57153699
CID 58879826
CID 58879826
CID 70343181
CID 70343181

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one (CID 10131948) is 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one is CSC1C(=O)Nc2c(F)ccc(OCCNc3ccsc3)c21.
What is the InChIKey of 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is NFCADPZFSYKPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S2/c1-21-14-12-11(3-2-10(16)13(12)18-15(14)19)20-6-5-17-9-4-7-22-8-9/h2-4,7-8,14,17H,5-6H2,1H3,(H,18,19).
What are the key properties of 7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one?
7-fluoro-3-methylsulfanyl-4-[2-(thiophen-3-ylamino)ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 338.43 g/mol, XLogP of 3.73, 6 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-ylamino)ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10131948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).