3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C15H13NO2S — CID 1247208

IUPAC3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2ccccc12
InChIInChI=1S/C15H13NO2S/c1-10-12-6-2-3-7-13(12)18-14(10)15(17)16-9-11-5-4-8-19-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyXTTSAJQJIJWWBC-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.73
Rot. Bonds3

About 3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 1247208) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID1247208
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2ccccc12
InChIInChI=1S/C15H13NO2S/c1-10-12-6-2-3-7-13(12)18-14(10)15(17)16-9-11-5-4-8-19-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyXTTSAJQJIJWWBC-UHFFFAOYSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 1247208) is 3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2cccs2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is XTTSAJQJIJWWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-10-12-6-2-3-7-13(12)18-14(10)15(17)16-9-11-5-4-8-19-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1247208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).