tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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

C158H141F9N26O21S11 — CID 159839893

IUPACtris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C(F)(F)F)oc(NC(=O)c2cccs2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)oc(NC(=O)c2ccco2)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.C13H10F3N3OS.C13H9F3N2O3.C13H9F3N2O2S.2C13H13N3OS.3C13H12N2O3.2C13H12N2OS2/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;1-2-7-8(6-17)12(21-10(7)13(14,15)16)19-11(20)9-4-3-5-18-9;1-2-7-8(6-17)12(21-10(7)13(14,15)16)18-11(19)9-4-3-5-20-9;1-2-7-8(6-17)12(20-10(7)13(14,15)16)18-11(19)9-4-3-5-21-9;2*1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;5*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);3-5,18H,2H2,1H3,(H,19,20);2*3-5H,2H2,1H3,(H,18,19);2*4-6,15H,3H2,1-2H3,(H,16,17);5*4-6H,3H2,1-2H3,(H,15,16)
InChIKeyNONUUGWSUVTNES-UHFFFAOYSA-N
MW3263.75 g/mol
LogP40.85
Rot. Bonds36

About tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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

tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 159839893) has the molecular formula C158H141F9N26O21S11 and a molecular weight of 3263.75 g/mol. Its IUPAC name is tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 Nametris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 CID159839893
Molecular FormulaC158H141F9N26O21S11
Molecular Weight3263.75 g/mol
Exact Mass3260.75
IUPAC Nametris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C(F)(F)F)oc(NC(=O)c2cccs2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)oc(NC(=O)c2ccco2)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.C13H10F3N3OS.C13H9F3N2O3.C13H9F3N2O2S.2C13H13N3OS.3C13H12N2O3.2C13H12N2OS2/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;1-2-7-8(6-17)12(21-10(7)13(14,15)16)19-11(20)9-4-3-5-18-9;1-2-7-8(6-17)12(21-10(7)13(14,15)16)18-11(19)9-4-3-5-20-9;1-2-7-8(6-17)12(20-10(7)13(14,15)16)18-11(19)9-4-3-5-21-9;2*1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;5*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);3-5,18H,2H2,1H3,(H,19,20);2*3-5H,2H2,1H3,(H,18,19);2*4-6,15H,3H2,1-2H3,(H,16,17);5*4-6H,3H2,1-2H3,(H,15,16)
InChIKeyNONUUGWSUVTNES-UHFFFAOYSA-N
XLogP40.85
TPSA768.52 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003263.75
LogP ≤ 540.85
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 159839893) is tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C(F)(F)F)oc(NC(=O)c2cccs2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)oc(NC(=O)c2ccco2)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 tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 NONUUGWSUVTNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS.C14H13NOS2.C13H10F3N3OS.C13H9F3N2O3.C13H9F3N2O2S.2C13H13N3OS.3C13H12N2O3.2C13H12N2OS2/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;1-2-7-8(6-17)12(21-10(7)13(14,15)16)19-11(20)9-4-3-5-18-9;1-2-7-8(6-17)12(21-10(7)13(14,15)16)18-11(19)9-4-3-5-20-9;1-2-7-8(6-17)12(20-10(7)13(14,15)16)18-11(19)9-4-3-5-21-9;2*1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;5*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);3-5,18H,2H2,1H3,(H,19,20);2*3-5H,2H2,1H3,(H,18,19);2*4-6,15H,3H2,1-2H3,(H,16,17);5*4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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?
tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 3263.75 g/mol, XLogP of 40.85, 36 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tris(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)furan-2-yl]furan-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)furan-2-yl]thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-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 159839893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).