N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide

C14H14N2O2S — CID 1246540

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c(C)o1
InChIInChI=1S/C14H14N2O2S/c1-7-5-11(9(3)18-7)13(17)16-14-12(6-15)8(2)10(4)19-14/h5H,1-4H3,(H,16,17)
InChIKeyPQJYSJSYQODAIF-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.70
Rot. Bonds2

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 1246540) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID1246540
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c(C)o1
InChIInChI=1S/C14H14N2O2S/c1-7-5-11(9(3)18-7)13(17)16-14-12(6-15)8(2)10(4)19-14/h5H,1-4H3,(H,16,17)
InChIKeyPQJYSJSYQODAIF-UHFFFAOYSA-N
XLogP3.70
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide (CID 1246540) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)c(C)o1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PQJYSJSYQODAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-7-5-11(9(3)18-7)13(17)16-14-12(6-15)8(2)10(4)19-14/h5H,1-4H3,(H,16,17).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 1246540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).