2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide

C11H11NO2S — CID 896042

IUPAC2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
SMILESCc1occc1C(=O)NCc1cccs1
InChIInChI=1S/C11H11NO2S/c1-8-10(4-5-14-8)11(13)12-7-9-3-2-6-15-9/h2-6H,7H2,1H3,(H,12,13)
InChIKeyLRORMQGPIKXOHF-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.58
Rot. Bonds3

About 2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide

2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide (PubChem CID 896042) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
PubChem CID896042
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
SMILESCc1occc1C(=O)NCc1cccs1
InChIInChI=1S/C11H11NO2S/c1-8-10(4-5-14-8)11(13)12-7-9-3-2-6-15-9/h2-6H,7H2,1H3,(H,12,13)
InChIKeyLRORMQGPIKXOHF-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 2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide (CID 896042) is 2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide is Cc1occc1C(=O)NCc1cccs1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
The InChIKey is LRORMQGPIKXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8-10(4-5-14-8)11(13)12-7-9-3-2-6-15-9/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
2-methyl-N-(thiophen-2-ylmethyl)furan-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 2-methyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 896042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).