5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione

C21H19N3O5S — CID 146262372

IUPAC5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCCOc1cc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C21H19N3O5S/c1-2-27-17-11-13(7-9-22-17)12-29-14-3-5-15(6-4-14)30-16-8-10-28-19(16)18-20(25)24-21(26)23-18/h3-11,18H,2,12H2,1H3,(H2,23,24,25,26)
InChIKeyGCYJKRQDTKZQMM-UHFFFAOYSA-N
MW425.47 g/mol
LogP3.68
Rot. Bonds8

About 5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione

5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (PubChem CID 146262372) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is 5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
PubChem CID146262372
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC Name5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCCOc1cc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C21H19N3O5S/c1-2-27-17-11-13(7-9-22-17)12-29-14-3-5-15(6-4-14)30-16-8-10-28-19(16)18-20(25)24-21(26)23-18/h3-11,18H,2,12H2,1H3,(H2,23,24,25,26)
InChIKeyGCYJKRQDTKZQMM-UHFFFAOYSA-N
XLogP3.68
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (CID 146262372) is 5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is CCOc1cc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1.
What is the InChIKey of 5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The InChIKey is GCYJKRQDTKZQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-2-27-17-11-13(7-9-22-17)12-29-14-3-5-15(6-4-14)30-16-8-10-28-19(16)18-20(25)24-21(26)23-18/h3-11,18H,2,12H2,1H3,(H2,23,24,25,26).
What are the key properties of 5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione has a molecular weight of 425.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(2-ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 146262372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).