4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide

C17H17NO3S — CID 71688750

IUPAC4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccs2)cc2occc12
InChIInChI=1S/C17H17NO3S/c1-3-20-15-9-12(10-16-14(15)6-7-21-16)17(19)18(2)11-13-5-4-8-22-13/h4-10H,3,11H2,1-2H3
InChIKeyJKFOAINWMSIDNV-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.17
Rot. Bonds5

About 4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide

4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide (PubChem CID 71688750) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide
PubChem CID71688750
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccs2)cc2occc12
InChIInChI=1S/C17H17NO3S/c1-3-20-15-9-12(10-16-14(15)6-7-21-16)17(19)18(2)11-13-5-4-8-22-13/h4-10H,3,11H2,1-2H3
InChIKeyJKFOAINWMSIDNV-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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Related Compounds

3,5-diacetamido-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 17429130
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 71688772
2-(ethylamino)-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55047494
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838012
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(3,4-diethoxybenzoyl)benzoate
CID 30656026
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 42318884

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide?
The IUPAC name of 4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide (CID 71688750) is 4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide is CCOc1cc(C(=O)N(C)Cc2cccs2)cc2occc12.
What is the InChIKey of 4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide?
The InChIKey is JKFOAINWMSIDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-3-20-15-9-12(10-16-14(15)6-7-21-16)17(19)18(2)11-13-5-4-8-22-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide?
4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-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 4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-6-carboxamide is sourced from PubChem (CID 71688750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).