N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide

C12H13NO2S — CID 19585268

IUPACN-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)sc1C
InChIInChI=1S/C12H13NO2S/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyDCTXCUPLONIUFJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.89
Rot. Bonds3

About N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide

N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 19585268) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID19585268
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC NameN-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)sc1C
InChIInChI=1S/C12H13NO2S/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyDCTXCUPLONIUFJ-UHFFFAOYSA-N
XLogP2.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide (CID 19585268) is N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCc2ccco2)sc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is DCTXCUPLONIUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide?
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 19585268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).