(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

C17H14N2O3S — CID 126130811

IUPAC(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)o2)C1=O
InChIInChI=1S/C17H14N2O3S/c1-2-10-19-16(20)14(18-17(19)21)11-12-8-9-15(22-12)23-13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H,18,21)/b14-11+
InChIKeyAQMNWVZLZAIXHM-SDNWHVSQSA-N
MW326.38 g/mol
LogP3.51
Rot. Bonds5

About (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 126130811) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID126130811
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)o2)C1=O
InChIInChI=1S/C17H14N2O3S/c1-2-10-19-16(20)14(18-17(19)21)11-12-8-9-15(22-12)23-13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H,18,21)/b14-11+
InChIKeyAQMNWVZLZAIXHM-SDNWHVSQSA-N
XLogP3.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126239214
(5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 5431381
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 2190759
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126253792
1-(furan-2-ylmethyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3837637
(5E)-3-methyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]imidazolidine-2,4-dione
CID 126199492
methyl 2-[5-[(E)-(2,5-dioxo-1-prop-2-enylimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 126144409
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126198904
(5E)-1-methyl-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7333781
(5Z)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126203245
1-(4-fluorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2893458
(5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1275695

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 126130811) is (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)o2)C1=O.
What is the InChIKey of (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is AQMNWVZLZAIXHM-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-2-10-19-16(20)14(18-17(19)21)11-12-8-9-15(22-12)23-13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H,18,21)/b14-11+.
What are the key properties of (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
(5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 326.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 126130811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).