5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one

C15H15FN2O2S — CID 80746228

IUPAC5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCc1cccs1)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C15H15FN2O2S/c1-18(5-4-9-3-2-6-21-9)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h2-3,6-8,14,19H,4-5H2,1H3,(H,17,20)
InChIKeyMMIBRCBOHDISFJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds4

About 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 80746228) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one
PubChem CID80746228
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCc1cccs1)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C15H15FN2O2S/c1-18(5-4-9-3-2-6-21-9)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h2-3,6-8,14,19H,4-5H2,1H3,(H,17,20)
InChIKeyMMIBRCBOHDISFJ-UHFFFAOYSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-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

3-(4-fluorothiophen-2-yl)-3-hydroxy-1H-indol-2-one
CID 163232301
3-(3-fluorothiophen-2-yl)-3-hydroxy-1H-indol-2-one
CID 163232396
6-[(3-Fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586663
6-[Ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 55010486
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 56139143
3-Hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 60892934
6-[(2-Fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
CID 61412842
6-[(4-Fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
CID 61413075
3-Hydroxy-6-[propyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 61604971
3-Hydroxy-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 61605128
6-(N-ethyl-3-fluoroanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 61855871
6-(4-fluoro-N-methylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 61969018

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one (CID 80746228) is 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one is CN(CCc1cccs1)c1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is MMIBRCBOHDISFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-18(5-4-9-3-2-6-21-9)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h2-3,6-8,14,19H,4-5H2,1H3,(H,17,20).
What are the key properties of 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 306.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-[methyl(2-thiophen-2-ylethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 80746228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).