N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide

C20H22N2O4S — CID 8890972

IUPACN-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C20H22N2O4S/c1-4-22(12-18(23)21-11-15-6-5-9-27-15)20(24)19-13(2)16-10-14(25-3)7-8-17(16)26-19/h5-10H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyXWVUAGKJYURBJL-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.59
Rot. Bonds7

About N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide

N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 8890972) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide
PubChem CID8890972
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C20H22N2O4S/c1-4-22(12-18(23)21-11-15-6-5-9-27-15)20(24)19-13(2)16-10-14(25-3)7-8-17(16)26-19/h5-10H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyXWVUAGKJYURBJL-UHFFFAOYSA-N
XLogP3.59
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide (CID 8890972) is N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide is CCN(CC(=O)NCc1cccs1)C(=O)c1oc2ccc(OC)cc2c1C.
What is the InChIKey of N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is XWVUAGKJYURBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-4-22(12-18(23)21-11-15-6-5-9-27-15)20(24)19-13(2)16-10-14(25-3)7-8-17(16)26-19/h5-10H,4,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide?
N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8890972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).