5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide

C11H11NO2S — CID 23130688

IUPAC5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(Cc2ccc(C(N)=O)s2)o1
InChIInChI=1S/C11H11NO2S/c1-7-2-3-8(14-7)6-9-4-5-10(15-9)11(12)13/h2-5H,6H2,1H3,(H2,12,13)
InChIKeyYMSSANFAVZXDQJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.34
Rot. Bonds3

About 5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide

5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 23130688) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
PubChem CID23130688
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(Cc2ccc(C(N)=O)s2)o1
InChIInChI=1S/C11H11NO2S/c1-7-2-3-8(14-7)6-9-4-5-10(15-9)11(12)13/h2-5H,6H2,1H3,(H2,12,13)
InChIKeyYMSSANFAVZXDQJ-UHFFFAOYSA-N
XLogP2.34
TPSA56.23 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide (CID 23130688) is 5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide is Cc1ccc(Cc2ccc(C(N)=O)s2)o1.
What is the InChIKey of 5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is YMSSANFAVZXDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-2-3-8(14-7)6-9-4-5-10(15-9)11(12)13/h2-5H,6H2,1H3,(H2,12,13).
What are the key properties of 5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide?
5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 23130688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).