3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione

C17H14N2O3S — CID 19058535

IUPAC3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(SCc2ccco2)C(=O)N1c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H14N2O3S/c20-16-9-15(23-10-13-2-1-7-22-13)17(21)19(16)12-4-3-11-5-6-18-14(11)8-12/h1-8,15,18H,9-10H2
InChIKeyXHCJZLLNFOWFGJ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.33
Rot. Bonds4

About 3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione

3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione (PubChem CID 19058535) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
PubChem CID19058535
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(SCc2ccco2)C(=O)N1c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H14N2O3S/c20-16-9-15(23-10-13-2-1-7-22-13)17(21)19(16)12-4-3-11-5-6-18-14(11)8-12/h1-8,15,18H,9-10H2
InChIKeyXHCJZLLNFOWFGJ-UHFFFAOYSA-N
XLogP3.33
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione (CID 19058535) is 3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione is O=C1CC(SCc2ccco2)C(=O)N1c1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione?
The InChIKey is XHCJZLLNFOWFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-16-9-15(23-10-13-2-1-7-22-13)17(21)19(16)12-4-3-11-5-6-18-14(11)8-12/h1-8,15,18H,9-10H2.
What are the key properties of 3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione?
3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione has a molecular weight of 326.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfanyl)-1-(1H-indol-6-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 19058535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).