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

C21H18N2O4S — CID 67177374

IUPAC5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCc1cccc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)c1
InChIInChI=1S/C21H18N2O4S/c1-13-3-2-4-14(11-13)12-27-15-5-7-16(8-6-15)28-17-9-10-26-19(17)18-20(24)23-21(25)22-18/h2-11,18H,12H2,1H3,(H2,22,23,24,25)
InChIKeyCXEKSVVDMIAMLF-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.20
Rot. Bonds6

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

5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (PubChem CID 67177374) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
PubChem CID67177374
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESCc1cccc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)c1
InChIInChI=1S/C21H18N2O4S/c1-13-3-2-4-14(11-13)12-27-15-5-7-16(8-6-15)28-17-9-10-26-19(17)18-20(24)23-21(25)22-18/h2-11,18H,12H2,1H3,(H2,22,23,24,25)
InChIKeyCXEKSVVDMIAMLF-UHFFFAOYSA-N
XLogP4.20
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (CID 67177374) is 5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is Cc1cccc(COc2ccc(Sc3ccoc3C3NC(=O)NC3=O)cc2)c1.
What is the InChIKey of 5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The InChIKey is CXEKSVVDMIAMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-13-3-2-4-14(11-13)12-27-15-5-7-16(8-6-15)28-17-9-10-26-19(17)18-20(24)23-21(25)22-18/h2-11,18H,12H2,1H3,(H2,22,23,24,25).
What are the key properties of 5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione has a molecular weight of 394.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 67177374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).