3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one

C24H18N2O2S2 — CID 5083376

IUPAC3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C1C=CC(=C2C=CC(C3C(=O)Nc4ccccc43)S2)S1
InChIInChI=1S/C24H18N2O2S2/c27-23-21(13-5-1-3-7-15(13)25-23)19-11-9-17(29-19)18-10-12-20(30-18)22-14-6-2-4-8-16(14)26-24(22)28/h1-12,19-22H,(H,25,27)(H,26,28)
InChIKeyRPQVMLDRZCAMMM-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.01
Rot. Bonds2

About 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one

3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one (PubChem CID 5083376) has the molecular formula C24H18N2O2S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one
PubChem CID5083376
Molecular FormulaC24H18N2O2S2
Molecular Weight430.55 g/mol
Exact Mass430.08
IUPAC Name3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C1C=CC(=C2C=CC(C3C(=O)Nc4ccccc43)S2)S1
InChIInChI=1S/C24H18N2O2S2/c27-23-21(13-5-1-3-7-15(13)25-23)19-11-9-17(29-19)18-10-12-20(30-18)22-14-6-2-4-8-16(14)26-24(22)28/h1-12,19-22H,(H,25,27)(H,26,28)
InChIKeyRPQVMLDRZCAMMM-UHFFFAOYSA-N
XLogP5.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

3-[(3Z)-3-hydrazinylidene-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one
CID 172939962
[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
CID 6921460
4-chloro-6,10b-dihydro-4aH-benzo[c][2,7]naphthyridin-5-one
CID 10537564
(3R)-1-methyl-3-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-3H-indol-2-one
CID 102025482
3-(2-methylcyclopentyl)-1,3-dihydroindol-2-one
CID 106986757
oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
CID 175320984
1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride
CID 167311658
(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one
CID 134962981
3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one
CID 102010173
3,3a,5,9b-tetrahydro-2H-furo[3,2-c]quinolin-4-one
CID 101071705
3-(4-aminophenyl)-1,3-dihydroindol-2-one
CID 118364316
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one (CID 5083376) is 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1C1C=CC(=C2C=CC(C3C(=O)Nc4ccccc43)S2)S1.
What is the InChIKey of 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one?
The InChIKey is RPQVMLDRZCAMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S2/c27-23-21(13-5-1-3-7-15(13)25-23)19-11-9-17(29-19)18-10-12-20(30-18)22-14-6-2-4-8-16(14)26-24(22)28/h1-12,19-22H,(H,25,27)(H,26,28).
What are the key properties of 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one?
3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one has a molecular weight of 430.55 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(2-oxo-1,3-dihydroindol-3-yl)-2H-thiophen-5-ylidene]-2H-thiophen-2-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 5083376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).