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

C78H71N11O13S6 — CID 157177822

IUPACN-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate
SMILESCCc1c(C)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C)oc(OC(=O)c2ccco2)c1C#N.CCc1c(C)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(NC(=O)c2cccs2)c1C#N.CCc1c(C)sc(OC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(OC(=O)c2cccs2)c1C#N
InChIInChI=1S/C13H13N3OS.C13H12N2O3.C13H12N2O2S.C13H12N2OS2.C13H11NO4.C13H11NO2S2/c1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11;1-3-9-8(2)18-13(10(9)7-14)17-12(16)11-5-4-6-15-11;1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11;1-3-9-8(2)17-13(10(9)7-14)18-12(15)11-5-4-6-16-11;1-3-9-8(2)18-13(10(9)7-14)16-12(15)11-5-4-6-17-11/h4-6,15H,3H2,1-2H3,(H,16,17);4-6H,3H2,1-2H3,(H,15,16);4-6,15H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,15,16);2*4-6H,3H2,1-2H3
InChIKeyAOFKRMOIICIPEE-UHFFFAOYSA-N
MW1562.89 g/mol
LogP19.39
Rot. Bonds18

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

N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate (PubChem CID 157177822) has the molecular formula C78H71N11O13S6 and a molecular weight of 1562.89 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate
PubChem CID157177822
Molecular FormulaC78H71N11O13S6
Molecular Weight1562.89 g/mol
Exact Mass1561.36
IUPAC NameN-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate
SMILESCCc1c(C)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C)oc(OC(=O)c2ccco2)c1C#N.CCc1c(C)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(NC(=O)c2cccs2)c1C#N.CCc1c(C)sc(OC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(OC(=O)c2cccs2)c1C#N
InChIInChI=1S/C13H13N3OS.C13H12N2O3.C13H12N2O2S.C13H12N2OS2.C13H11NO4.C13H11NO2S2/c1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11;1-3-9-8(2)18-13(10(9)7-14)17-12(16)11-5-4-6-15-11;1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11;1-3-9-8(2)17-13(10(9)7-14)18-12(15)11-5-4-6-16-11;1-3-9-8(2)18-13(10(9)7-14)16-12(15)11-5-4-6-17-11/h4-6,15H,3H2,1-2H3,(H,16,17);4-6H,3H2,1-2H3,(H,15,16);4-6,15H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,15,16);2*4-6H,3H2,1-2H3
InChIKeyAOFKRMOIICIPEE-UHFFFAOYSA-N
XLogP19.39
TPSA393.08 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms108
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001562.89
LogP ≤ 519.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate (CID 157177822) is N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate is CCc1c(C)oc(NC(=O)c2ccco2)c1C#N.CCc1c(C)oc(OC(=O)c2ccco2)c1C#N.CCc1c(C)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(NC(=O)c2cccs2)c1C#N.CCc1c(C)sc(OC(=O)c2ccc[nH]2)c1C#N.CCc1c(C)sc(OC(=O)c2cccs2)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate?
The InChIKey is AOFKRMOIICIPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS.C13H12N2O3.C13H12N2O2S.C13H12N2OS2.C13H11NO4.C13H11NO2S2/c1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11;1-3-9-8(2)18-13(10(9)7-14)17-12(16)11-5-4-6-15-11;1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11;1-3-9-8(2)17-13(10(9)7-14)18-12(15)11-5-4-6-16-11;1-3-9-8(2)18-13(10(9)7-14)16-12(15)11-5-4-6-17-11/h4-6,15H,3H2,1-2H3,(H,16,17);4-6H,3H2,1-2H3,(H,15,16);4-6,15H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,15,16);2*4-6H,3H2,1-2H3.
What are the key properties of N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate?
N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate has a molecular weight of 1562.89 g/mol, XLogP of 19.39, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate is sourced from PubChem (CID 157177822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).