3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione

C16H9NO3S — CID 15422866

IUPAC3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2csc3ccccc23)=C1c1ccco1
InChIInChI=1S/C16H9NO3S/c18-15-13(10-8-21-12-6-2-1-4-9(10)12)14(16(19)17-15)11-5-3-7-20-11/h1-8H,(H,17,18,19)
InChIKeyNWMXBPYYVHLUGG-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.06
Rot. Bonds2

About 3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione

3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione (PubChem CID 15422866) has the molecular formula C16H9NO3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione
PubChem CID15422866
Molecular FormulaC16H9NO3S
Molecular Weight295.32 g/mol
Exact Mass295.03
IUPAC Name3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2csc3ccccc23)=C1c1ccco1
InChIInChI=1S/C16H9NO3S/c18-15-13(10-8-21-12-6-2-1-4-9(10)12)14(16(19)17-15)11-5-3-7-20-11/h1-8H,(H,17,18,19)
InChIKeyNWMXBPYYVHLUGG-UHFFFAOYSA-N
XLogP3.06
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzothiophen-3-yl)-1-benzofuran
CID 90722056
3-(1-benzothiophen-3-yl)-4-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)pyrrole-2,5-dione;molecular hydrogen
CID 177060181
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
2-(furan-2-yl)thiochromen-4-one
CID 154715436
(3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one
CID 58926121
4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
CID 116832461
5-(1-benzothiophen-3-yl)furan-2-carboxylic acid
CID 4189591
5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole
CID 170201826
3-amino-5-(1-benzothiophen-3-yl)-1H-imidazole-2-thione
CID 82383751
4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
CID 68946010
3-(2-methoxyphenyl)-1-benzothiophene
CID 3358919
2-(1-benzothiophen-3-yl)-1-methylpyrrole
CID 134861873

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione (CID 15422866) is 3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2csc3ccccc23)=C1c1ccco1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione?
The InChIKey is NWMXBPYYVHLUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO3S/c18-15-13(10-8-21-12-6-2-1-4-9(10)12)14(16(19)17-15)11-5-3-7-20-11/h1-8H,(H,17,18,19).
What are the key properties of 3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione?
3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione has a molecular weight of 295.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-4-(furan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 15422866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).