N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide

C13H12N2OS2 — CID 839896

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cccs2)c1C#N
InChIInChI=1S/C13H12N2OS2/c1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyNASHEFOOQOUQAV-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.80
Rot. Bonds3

About N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide (PubChem CID 839896) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide
PubChem CID839896
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cccs2)c1C#N
InChIInChI=1S/C13H12N2OS2/c1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyNASHEFOOQOUQAV-UHFFFAOYSA-N
XLogP3.80
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide (CID 839896) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide is CCc1c(C)sc(NC(=O)c2cccs2)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide?
The InChIKey is NASHEFOOQOUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-3-9-8(2)18-13(10(9)7-14)15-12(16)11-5-4-6-17-11/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide has a molecular weight of 276.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 839896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).