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

C20H17N3O4S — CID 146262473

IUPAC5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCc1cc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C20H17N3O4S/c1-12-10-13(6-8-21-12)11-27-14-2-4-15(5-3-14)28-16-7-9-26-18(16)17-19(24)23-20(25)22-17/h2-10,17H,11H2,1H3,(H2,22,23,24,25)
InChIKeyGUKPADSDFUIAMC-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.59
Rot. Bonds6

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

5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (PubChem CID 146262473) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
PubChem CID146262473
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCc1cc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1
InChIInChI=1S/C20H17N3O4S/c1-12-10-13(6-8-21-12)11-27-14-2-4-15(5-3-14)28-16-7-9-26-18(16)17-19(24)23-20(25)22-17/h2-10,17H,11H2,1H3,(H2,22,23,24,25)
InChIKeyGUKPADSDFUIAMC-UHFFFAOYSA-N
XLogP3.59
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2998762
N-[1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpyridine-2-carboxamide
CID 3210858
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210865
Thiophene-2-carboxylic acid ({[(1,1-dimethyl-propylcarbamoyl)-furan-2-yl-methyl]-pyridin-3-yl-carbamoyl}-methyl)-amide
CID 3215310
5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 146262560
5-ethyl-5-[3-[4-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 156455426
(Z)-1-(furan-2-ylmethyl)-5-((1-(2-(m-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1847342
(5Z)-1-(furan-2-ylmethyl)-5-[[1-[2-(4-methylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1852376
5-Ethyl-5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 146262400
5-[3-[4-[2-(2-Methyl-4-pyridinyl)ethynyl]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 156455434
5-[3-[4-[(2-Ethoxy-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 146262372
4-[[4-[2-(2,5-Dioxoimidazolidin-4-yl)furan-3-yl]sulfanylphenoxy]methyl]pyridine-2-carboxamide
CID 146262374

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (CID 146262473) is 5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is Cc1cc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)ccn1.
What is the InChIKey of 5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The InChIKey is GUKPADSDFUIAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-12-10-13(6-8-21-12)11-27-14-2-4-15(5-3-14)28-16-7-9-26-18(16)17-19(24)23-20(25)22-17/h2-10,17H,11H2,1H3,(H2,22,23,24,25).
What are the key properties of 5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione has a molecular weight of 395.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 146262473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).