N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide

C11H11NO2S — CID 1245657

IUPACN-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C11H11NO2S/c1-8-5-9(7-15-8)11(13)12-6-10-3-2-4-14-10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyBTSKZYGUYIHVCJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.58
Rot. Bonds3

About N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide

N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide (PubChem CID 1245657) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide
PubChem CID1245657
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC NameN-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)cs1
InChIInChI=1S/C11H11NO2S/c1-8-5-9(7-15-8)11(13)12-6-10-3-2-4-14-10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyBTSKZYGUYIHVCJ-UHFFFAOYSA-N
XLogP2.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.58
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)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide (CID 1245657) is N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)NCc2ccco2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide?
The InChIKey is BTSKZYGUYIHVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8-5-9(7-15-8)11(13)12-6-10-3-2-4-14-10/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide?
N-(furan-2-ylmethyl)-5-methylthiophene-3-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 2.58, 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)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1245657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).