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

C14H11NO2S — CID 2675152

IUPACN-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C14H11NO2S/c16-14(15-9-11-5-3-7-18-11)13-8-10-4-1-2-6-12(10)17-13/h1-8H,9H2,(H,15,16)
InChIKeyMAUAEOZNWWVTLW-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.42
Rot. Bonds3

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

N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 2675152) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID2675152
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC NameN-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C14H11NO2S/c16-14(15-9-11-5-3-7-18-11)13-8-10-4-1-2-6-12(10)17-13/h1-8H,9H2,(H,15,16)
InChIKeyMAUAEOZNWWVTLW-UHFFFAOYSA-N
XLogP3.42
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 2675152) is N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is O=C(NCc1cccs1)c1cc2ccccc2o1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MAUAEOZNWWVTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c16-14(15-9-11-5-3-7-18-11)13-8-10-4-1-2-6-12(10)17-13/h1-8H,9H2,(H,15,16).
What are the key properties of N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 257.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2675152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).