5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide

C13H15NO2S — CID 2542372

IUPAC5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2ccco2)cc1C
InChIInChI=1S/C13H15NO2S/c1-3-11-9(2)7-12(17-11)13(15)14-8-10-5-4-6-16-10/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeyOWIDTMRKVBTEHI-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.14
Rot. Bonds4

About 5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide

5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide (PubChem CID 2542372) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide
PubChem CID2542372
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2ccco2)cc1C
InChIInChI=1S/C13H15NO2S/c1-3-11-9(2)7-12(17-11)13(15)14-8-10-5-4-6-16-10/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeyOWIDTMRKVBTEHI-UHFFFAOYSA-N
XLogP3.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide (CID 2542372) is 5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NCc2ccco2)cc1C.
What is the InChIKey of 5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide?
The InChIKey is OWIDTMRKVBTEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-3-11-9(2)7-12(17-11)13(15)14-8-10-5-4-6-16-10/h4-7H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide?
5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide has a molecular weight of 249.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(furan-2-ylmethyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 2542372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).