1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene

C26H20N2O2S3 — CID 174853877

IUPAC1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene
SMILESO=C1Cc2ccccc2N1N1C(=O)Cc2ccccc21.c1cc2sccc2s1.c1ccsc1
InChIInChI=1S/C16H12N2O2.C6H4S2.C4H4S/c19-15-9-11-5-1-3-7-13(11)17(15)18-14-8-4-2-6-12(14)10-16(18)20;1-3-7-6-2-4-8-5(1)6;1-2-4-5-3-1/h1-8H,9-10H2;1-4H;1-4H
InChIKeyCGLAJMQHOLSYLE-UHFFFAOYSA-N
MW488.66 g/mol
LogP6.79
Rot. Bonds1

About 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene

1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene (PubChem CID 174853877) has the molecular formula C26H20N2O2S3 and a molecular weight of 488.66 g/mol. Its IUPAC name is 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene.

Molecular Properties

Compound Name1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene
PubChem CID174853877
Molecular FormulaC26H20N2O2S3
Molecular Weight488.66 g/mol
Exact Mass488.07
IUPAC Name1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene
SMILESO=C1Cc2ccccc2N1N1C(=O)Cc2ccccc21.c1cc2sccc2s1.c1ccsc1
InChIInChI=1S/C16H12N2O2.C6H4S2.C4H4S/c19-15-9-11-5-1-3-7-13(11)17(15)18-14-8-4-2-6-12(14)10-16(18)20;1-3-7-6-2-4-8-5(1)6;1-2-4-5-3-1/h1-8H,9-10H2;1-4H;1-4H
InChIKeyCGLAJMQHOLSYLE-UHFFFAOYSA-N
XLogP6.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.66
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene 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

1-(4-methylpiperazin-1-yl)-3H-indol-2-one
CID 23353982
1-(1,3-thiazol-2-yl)-3H-indol-2-one
CID 14819388
CID 165088007
CID 165088007
1-(4-hydroxyphenyl)-3H-indol-2-one
CID 11977007
1-benzothiophene;thiophene
CID 67877268
CID 161072106
CID 161072106
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-piperidin-1-yl-3,4-dihydroquinolin-2-one
CID 19094699
hydron;thieno[3,2-b]thiophene
CID 174437334
1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
1H-indene;thieno[3,2-b]thiophene
CID 157394053

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene?
The IUPAC name of 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene (CID 174853877) is 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene.
What is the SMILES notation for 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene?
The canonical SMILES for 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene is O=C1Cc2ccccc2N1N1C(=O)Cc2ccccc21.c1cc2sccc2s1.c1ccsc1.
What is the InChIKey of 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene?
The InChIKey is CGLAJMQHOLSYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2.C6H4S2.C4H4S/c19-15-9-11-5-1-3-7-13(11)17(15)18-14-8-4-2-6-12(14)10-16(18)20;1-3-7-6-2-4-8-5(1)6;1-2-4-5-3-1/h1-8H,9-10H2;1-4H;1-4H.
What are the key properties of 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene?
1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene has a molecular weight of 488.66 g/mol, XLogP of 6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-3H-indol-1-yl)-3H-indol-2-one;thieno[3,2-b]thiophene;thiophene is sourced from PubChem (CID 174853877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).