bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide

C120H114N18O15S9 — CID 159399733

IUPACbis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide
SMILESC#Cc1c(NC(=O)c2ccc[nH]2)sc(C)c1CC.C#Cc1c(NC(=O)c2ccco2)oc(C)c1CC.C#Cc1c(NC(=O)c2cccs2)sc(C)c1CC.CCc1c(C)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(NC(=O)c2cccs2)c1C#N.CCc1c(C)sc(NC(=O)c2cccs2)c1C#N
InChIInChI=1S/C14H14N2OS.C14H13NO3.C14H13NOS2.2C13H13N3OS.2C13H12N2O3.2C13H12N2OS2/c1-4-10-9(3)18-14(11(10)5-2)16-13(17)12-7-6-8-15-12;2*1-4-10-9(3)18-14(11(10)5-2)15-13(16)12-7-6-8-17-12;2*1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;4*1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11/h2,6-8,15H,4H2,1,3H3,(H,16,17);2*2,6-8H,4H2,1,3H3,(H,15,16);2*4-6,15H,3H2,1-2H3,(H,16,17);4*4-6H,3H2,1-2H3,(H,15,16)
InChIKeyLNELDBSYRQJCPM-UHFFFAOYSA-N
MW2336.95 g/mol
LogP29.56
Rot. Bonds27

About bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide

bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide (PubChem CID 159399733) has the molecular formula C120H114N18O15S9 and a molecular weight of 2336.95 g/mol. Its IUPAC name is bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Namebis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide
PubChem CID159399733
Molecular FormulaC120H114N18O15S9
Molecular Weight2336.95 g/mol
Exact Mass2334.62
IUPAC Namebis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide
SMILESC#Cc1c(NC(=O)c2ccc[nH]2)sc(C)c1CC.C#Cc1c(NC(=O)c2ccco2)oc(C)c1CC.C#Cc1c(NC(=O)c2cccs2)sc(C)c1CC.CCc1c(C)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(NC(=O)c2cccs2)c1C#N.CCc1c(C)sc(NC(=O)c2cccs2)c1C#N
InChIInChI=1S/C14H14N2OS.C14H13NO3.C14H13NOS2.2C13H13N3OS.2C13H12N2O3.2C13H12N2OS2/c1-4-10-9(3)18-14(11(10)5-2)16-13(17)12-7-6-8-15-12;2*1-4-10-9(3)18-14(11(10)5-2)15-13(16)12-7-6-8-17-12;2*1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;4*1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11/h2,6-8,15H,4H2,1,3H3,(H,16,17);2*2,6-8H,4H2,1,3H3,(H,15,16);2*4-6,15H,3H2,1-2H3,(H,16,17);4*4-6H,3H2,1-2H3,(H,15,16)
InChIKeyLNELDBSYRQJCPM-UHFFFAOYSA-N
XLogP29.56
TPSA530.85 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002336.95
LogP ≤ 529.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide?
The IUPAC name of bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide (CID 159399733) is bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide?
The canonical SMILES for bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide is C#Cc1c(NC(=O)c2ccc[nH]2)sc(C)c1CC.C#Cc1c(NC(=O)c2ccco2)oc(C)c1CC.C#Cc1c(NC(=O)c2cccs2)sc(C)c1CC.CCc1c(C)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(NC(=O)c2cccs2)c1C#N.CCc1c(C)sc(NC(=O)c2cccs2)c1C#N.
What is the InChIKey of bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide?
The InChIKey is LNELDBSYRQJCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS.C14H13NO3.C14H13NOS2.2C13H13N3OS.2C13H12N2O3.2C13H12N2OS2/c1-4-10-9(3)18-14(11(10)5-2)16-13(17)12-7-6-8-15-12;2*1-4-10-9(3)18-14(11(10)5-2)15-13(16)12-7-6-8-17-12;2*1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;4*1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11/h2,6-8,15H,4H2,1,3H3,(H,16,17);2*2,6-8H,4H2,1,3H3,(H,15,16);2*4-6,15H,3H2,1-2H3,(H,16,17);4*4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide?
bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide has a molecular weight of 2336.95 g/mol, XLogP of 29.56, 27 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide);bis(N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide);N-(4-ethyl-3-ethynyl-5-methylfuran-2-yl)furan-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;N-(4-ethyl-3-ethynyl-5-methylthiophen-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 159399733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).