5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one

C15H15FN2OS — CID 43692702

IUPAC5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(Cc1cccs1)NC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C15H15FN2OS/c1-9(7-11-3-2-6-20-11)17-14-12-8-10(16)4-5-13(12)18-15(14)19/h2-6,8-9,14,17H,7H2,1H3,(H,18,19)
InChIKeyUVHBDOALOWEUHW-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.10
Rot. Bonds4

About 5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one

5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43692702) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43692702
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(Cc1cccs1)NC1C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C15H15FN2OS/c1-9(7-11-3-2-6-20-11)17-14-12-8-10(16)4-5-13(12)18-15(14)19/h2-6,8-9,14,17H,7H2,1H3,(H,18,19)
InChIKeyUVHBDOALOWEUHW-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43206055
3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63291448
5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204711
5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43195154
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43201955
5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one
CID 106986781
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43535493
5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43204421
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one (CID 43692702) is 5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one is CC(Cc1cccs1)NC1C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is UVHBDOALOWEUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-9(7-11-3-2-6-20-11)17-14-12-8-10(16)4-5-13(12)18-15(14)19/h2-6,8-9,14,17H,7H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 290.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-thiophen-2-ylpropan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43692702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).