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

C22H21N3O4S — CID 146262400

IUPAC5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCCC1(c2occc2Sc2ccc(OCc3ccnc(C)c3)cc2)NC(=O)NC1=O
InChIInChI=1S/C22H21N3O4S/c1-3-22(20(26)24-21(27)25-22)19-18(9-11-28-19)30-17-6-4-16(5-7-17)29-13-15-8-10-23-14(2)12-15/h4-12H,3,13H2,1-2H3,(H2,24,25,26,27)
InChIKeyLMLMZWGTRFPZPE-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.16
Rot. Bonds7

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

5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (PubChem CID 146262400) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
PubChem CID146262400
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCCC1(c2occc2Sc2ccc(OCc3ccnc(C)c3)cc2)NC(=O)NC1=O
InChIInChI=1S/C22H21N3O4S/c1-3-22(20(26)24-21(27)25-22)19-18(9-11-28-19)30-17-6-4-16(5-7-17)29-13-15-8-10-23-14(2)12-15/h4-12H,3,13H2,1-2H3,(H2,24,25,26,27)
InChIKeyLMLMZWGTRFPZPE-UHFFFAOYSA-N
XLogP4.16
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (CID 146262400) is 5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is CCC1(c2occc2Sc2ccc(OCc3ccnc(C)c3)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The InChIKey is LMLMZWGTRFPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-3-22(20(26)24-21(27)25-22)19-18(9-11-28-19)30-17-6-4-16(5-7-17)29-13-15-8-10-23-14(2)12-15/h4-12H,3,13H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione has a molecular weight of 423.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 146262400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).