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

C78H67F6N13O11S6 — CID 160819348

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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide
SMILESCCc1c(C(F)(F)F)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2cccs2)c1C#N.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
InChIInChI=1S/C13H10F3N3OS.C13H9F3N2OS2.C13H13N3OS.C13H12N2O3.C13H12N2OS2.C13H11NO4/c1-2-7-8(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;1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;2*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/h3-5,18H,2H2,1H3,(H,19,20);3-5H,2H2,1H3,(H,18,19);4-6,15H,3H2,1-2H3,(H,16,17);2*4-6H,3H2,1-2H3,(H,15,16);4-6H,3H2,1-2H3
InChIKeySFIFLNZHDMRQHP-UHFFFAOYSA-N
MW1668.86 g/mol
LogP20.87
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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide

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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide (PubChem CID 160819348) has the molecular formula C78H67F6N13O11S6 and a molecular weight of 1668.86 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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide.

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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide
PubChem CID160819348
Molecular FormulaC78H67F6N13O11S6
Molecular Weight1668.86 g/mol
Exact Mass1667.33
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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide
SMILESCCc1c(C(F)(F)F)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2cccs2)c1C#N.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
InChIInChI=1S/C13H10F3N3OS.C13H9F3N2OS2.C13H13N3OS.C13H12N2O3.C13H12N2OS2.C13H11NO4/c1-2-7-8(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;1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;2*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/h3-5,18H,2H2,1H3,(H,19,20);3-5H,2H2,1H3,(H,18,19);4-6,15H,3H2,1-2H3,(H,16,17);2*4-6H,3H2,1-2H3,(H,15,16);4-6H,3H2,1-2H3
InChIKeySFIFLNZHDMRQHP-UHFFFAOYSA-N
XLogP20.87
TPSA398.68 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001668.86
LogP ≤ 520.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide 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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide?
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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide (CID 160819348) 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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide.
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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide?
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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide is CCc1c(C(F)(F)F)sc(NC(=O)c2ccc[nH]2)c1C#N.CCc1c(C(F)(F)F)sc(NC(=O)c2cccs2)c1C#N.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.
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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide?
The InChIKey is SFIFLNZHDMRQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3OS.C13H9F3N2OS2.C13H13N3OS.C13H12N2O3.C13H12N2OS2.C13H11NO4/c1-2-7-8(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;1-3-9-8(2)18-13(10(9)7-14)16-12(17)11-5-4-6-15-11;2*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/h3-5,18H,2H2,1H3,(H,19,20);3-5H,2H2,1H3,(H,18,19);4-6,15H,3H2,1-2H3,(H,16,17);2*4-6H,3H2,1-2H3,(H,15,16);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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide?
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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide has a molecular weight of 1668.86 g/mol, XLogP of 20.87, 18 rotatable bonds, 7 hydrogen bond donors, and 23 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;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]-1H-pyrrole-2-carboxamide;N-[3-cyano-4-ethyl-5-(trifluoromethyl)thiophen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 160819348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).