(5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

C20H19N3O2S — CID 146554609

IUPAC(5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCn1c(/C=C2\C(=O)N(C)C(=S)N2C)cc2oc(-c3ccccc3)cc21
InChIInChI=1S/C20H19N3O2S/c1-4-23-14(10-16-19(24)22(3)20(26)21(16)2)11-18-15(23)12-17(25-18)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3/b16-10+
InChIKeyMNWAXYWFBWFRQM-MHWRWJLKSA-N
MW365.46 g/mol
LogP3.95
Rot. Bonds3

About (5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 146554609) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID146554609
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCn1c(/C=C2\C(=O)N(C)C(=S)N2C)cc2oc(-c3ccccc3)cc21
InChIInChI=1S/C20H19N3O2S/c1-4-23-14(10-16-19(24)22(3)20(26)21(16)2)11-18-15(23)12-17(25-18)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3/b16-10+
InChIKeyMNWAXYWFBWFRQM-MHWRWJLKSA-N
XLogP3.95
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 146554609) is (5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is CCn1c(/C=C2\C(=O)N(C)C(=S)N2C)cc2oc(-c3ccccc3)cc21.
What is the InChIKey of (5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is MNWAXYWFBWFRQM-MHWRWJLKSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-4-23-14(10-16-19(24)22(3)20(26)21(16)2)11-18-15(23)12-17(25-18)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3/b16-10+.
What are the key properties of (5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 365.46 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 146554609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).