diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate

C20H18N2O6S — CID 139074499

IUPACdiethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate
SMILESCCOC(=O)c1c(/N=C/c2ccco2)sc(/N=C/c2ccco2)c1C(=O)OCC
InChIInChI=1S/C20H18N2O6S/c1-3-25-19(23)15-16(20(24)26-4-2)18(22-12-14-8-6-10-28-14)29-17(15)21-11-13-7-5-9-27-13/h5-12H,3-4H2,1-2H3/b21-11+,22-12+
InChIKeyVHTRWPPVTNSINB-XHQRYOPUSA-N
MW414.44 g/mol
LogP4.79
Rot. Bonds8

About diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate

diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate (PubChem CID 139074499) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate
PubChem CID139074499
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Namediethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate
SMILESCCOC(=O)c1c(/N=C/c2ccco2)sc(/N=C/c2ccco2)c1C(=O)OCC
InChIInChI=1S/C20H18N2O6S/c1-3-25-19(23)15-16(20(24)26-4-2)18(22-12-14-8-6-10-28-14)29-17(15)21-11-13-7-5-9-27-13/h5-12H,3-4H2,1-2H3/b21-11+,22-12+
InChIKeyVHTRWPPVTNSINB-XHQRYOPUSA-N
XLogP4.79
TPSA103.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

diethyl 2,5-bis[(E)-(4,5-dimethylfuran-2-yl)methylideneamino]thiophene-3,4-dicarboxylate
CID 177451460
diethyl 2,5-bis[(E)-[5-(diethylamino)thiophen-2-yl]methylideneamino]thiophene-3,4-dicarboxylate
CID 139194860
ethyl 4-ethyl-2,5-bis(thiophen-2-ylmethylideneamino)thiophene-3-carboxylate
CID 67519069
ethyl 5-carbamoyl-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methylthiophene-3-carboxylate
CID 4251166
ethyl 2-[(E)-[2-(furan-2-yl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 135467625
diethyl 2-[(E)-(5-methylthiophen-2-yl)methylideneamino]-5-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiophene-3,4-dicarboxylate
CID 59027225
ethyl 4-ethyl-2-[[2-[3-(furan-2-yl)prop-2-enoyloxy]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 5216936
diethyl 5-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 6154140
ethyl 4,4-diethoxy-2-(furan-2-ylmethylidene)-3-oxobutanoate
CID 70073300
diethyl 2-amino-5-[(E)-[5-(diethylamino)thiophen-2-yl]methylideneamino]thiophene-3,4-dicarboxylate
CID 87080408
ethyl 2-[[5-(methoxymethyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23735664
3-ethoxycarbonyl-4-(furan-2-yl)but-3-enoic acid
CID 71362609

Frequently Asked Questions

What is the IUPAC name of diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate?
The IUPAC name of diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate (CID 139074499) is diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate?
The canonical SMILES for diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate is CCOC(=O)c1c(/N=C/c2ccco2)sc(/N=C/c2ccco2)c1C(=O)OCC.
What is the InChIKey of diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate?
The InChIKey is VHTRWPPVTNSINB-XHQRYOPUSA-N. The full InChI is InChI=1S/C20H18N2O6S/c1-3-25-19(23)15-16(20(24)26-4-2)18(22-12-14-8-6-10-28-14)29-17(15)21-11-13-7-5-9-27-13/h5-12H,3-4H2,1-2H3/b21-11+,22-12+.
What are the key properties of diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate?
diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate has a molecular weight of 414.44 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,5-bis[(E)-furan-2-ylmethylideneamino]thiophene-3,4-dicarboxylate is sourced from PubChem (CID 139074499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).