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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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

C132H119F6N21O15S12 — CID 158153458

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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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)c2cccs2)sc(C)c1CC.CCc1c(C(F)(F)F)sc(NC(=O)c2ccco2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2cccs2)c1C#N.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.C14H13NOS2.C13H9F3N2O2S.C13H9F3N2OS2.2C13H13N3OS.2C13H12N2O3.2C13H12N2OS2/c1-4-10-9(3)18-14(11(10)5-2)16-13(17)12-7-6-8-15-12;1-4-10-9(3)18-14(11(10)5-2)15-13(16)12-7-6-8-17-12;2*1-2-7-8(6-17)12(21-10(7)13(14,15)16)18-11(19)9-4-3-5-20-9;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);2,6-8H,4H2,1,3H3,(H,15,16);2*3-5H,2H2,1H3,(H,18,19);2*4-6,15H,3H2,1-2H3,(H,16,17);4*4-6H,3H2,1-2H3,(H,15,16)
InChIKeyFVKAGMRKDLPRJP-UHFFFAOYSA-N
MW2738.33 g/mol
LogP35.14
Rot. Bonds30

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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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 158153458) has the molecular formula C132H119F6N21O15S12 and a molecular weight of 2738.33 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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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 CID158153458
Molecular FormulaC132H119F6N21O15S12
Molecular Weight2738.33 g/mol
Exact Mass2735.57
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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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)c2cccs2)sc(C)c1CC.CCc1c(C(F)(F)F)sc(NC(=O)c2ccco2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2cccs2)c1C#N.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.C14H13NOS2.C13H9F3N2O2S.C13H9F3N2OS2.2C13H13N3OS.2C13H12N2O3.2C13H12N2OS2/c1-4-10-9(3)18-14(11(10)5-2)16-13(17)12-7-6-8-15-12;1-4-10-9(3)18-14(11(10)5-2)15-13(16)12-7-6-8-17-12;2*1-2-7-8(6-17)12(21-10(7)13(14,15)16)18-11(19)9-4-3-5-20-9;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);2,6-8H,4H2,1,3H3,(H,15,16);2*3-5H,2H2,1H3,(H,18,19);2*4-6,15H,3H2,1-2H3,(H,16,17);4*4-6H,3H2,1-2H3,(H,15,16)
InChIKeyFVKAGMRKDLPRJP-UHFFFAOYSA-N
XLogP35.14
TPSA594.39 Ų
H-Bond Donors13
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002738.33
LogP ≤ 535.14
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1035

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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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 158153458) 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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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)c2cccs2)sc(C)c1CC.CCc1c(C(F)(F)F)sc(NC(=O)c2ccco2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2cccs2)c1C#N.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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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 FVKAGMRKDLPRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS.C14H13NOS2.C13H9F3N2O2S.C13H9F3N2OS2.2C13H13N3OS.2C13H12N2O3.2C13H12N2OS2/c1-4-10-9(3)18-14(11(10)5-2)16-13(17)12-7-6-8-15-12;1-4-10-9(3)18-14(11(10)5-2)15-13(16)12-7-6-8-17-12;2*1-2-7-8(6-17)12(21-10(7)13(14,15)16)18-11(19)9-4-3-5-20-9;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);2,6-8H,4H2,1,3H3,(H,15,16);2*3-5H,2H2,1H3,(H,18,19);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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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 2738.33 g/mol, XLogP of 35.14, 30 rotatable bonds, 13 hydrogen bond donors, and 35 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-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-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 158153458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).