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

C17H17NO3S — CID 67512362

IUPACN-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc2cc(OC)ccc2o1
InChIInChI=1S/C17H17NO3S/c1-3-18(11-14-5-4-8-22-14)17(19)16-10-12-9-13(20-2)6-7-15(12)21-16/h4-10H,3,11H2,1-2H3
InChIKeyJPPIRCIBYYOVRZ-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.17
Rot. Bonds5

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

N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 67512362) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID67512362
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC NameN-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cc2cc(OC)ccc2o1
InChIInChI=1S/C17H17NO3S/c1-3-18(11-14-5-4-8-22-14)17(19)16-10-12-9-13(20-2)6-7-15(12)21-16/h4-10H,3,11H2,1-2H3
InChIKeyJPPIRCIBYYOVRZ-UHFFFAOYSA-N
XLogP4.17
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 67512362) is N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is CCN(Cc1cccs1)C(=O)c1cc2cc(OC)ccc2o1.
What is the InChIKey of N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is JPPIRCIBYYOVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-3-18(11-14-5-4-8-22-14)17(19)16-10-12-9-13(20-2)6-7-15(12)21-16/h4-10H,3,11H2,1-2H3.
What are the key properties of N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 67512362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).