N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C17H17NO2S — CID 67511180

IUPACN-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H17NO2S/c1-3-18(11-14-5-4-8-21-14)17(19)16-10-13-9-12(2)6-7-15(13)20-16/h4-10H,3,11H2,1-2H3
InChIKeyUNROJNKBUQEJQY-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.47
Rot. Bonds4

About N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 67511180) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID67511180
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC NameN-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H17NO2S/c1-3-18(11-14-5-4-8-21-14)17(19)16-10-13-9-12(2)6-7-15(13)20-16/h4-10H,3,11H2,1-2H3
InChIKeyUNROJNKBUQEJQY-UHFFFAOYSA-N
XLogP4.47
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 67511180) is N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is CCN(Cc1cccs1)C(=O)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is UNROJNKBUQEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-3-18(11-14-5-4-8-21-14)17(19)16-10-13-9-12(2)6-7-15(13)20-16/h4-10H,3,11H2,1-2H3.
What are the key properties of N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 67511180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).