2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide

C18H17NO3S — CID 2665602

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3cccc(SC)c3)coc2c1
InChIInChI=1S/C18H17NO3S/c1-21-14-6-7-16-12(11-22-17(16)10-14)8-18(20)19-13-4-3-5-15(9-13)23-2/h3-7,9-11H,8H2,1-2H3,(H,19,20)
InChIKeyRTCWLASTUUEUPC-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.34
Rot. Bonds5

About 2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide

2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 2665602) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID2665602
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3cccc(SC)c3)coc2c1
InChIInChI=1S/C18H17NO3S/c1-21-14-6-7-16-12(11-22-17(16)10-14)8-18(20)19-13-4-3-5-15(9-13)23-2/h3-7,9-11H,8H2,1-2H3,(H,19,20)
InChIKeyRTCWLASTUUEUPC-UHFFFAOYSA-N
XLogP4.34
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 17394423
N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51330083
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7925136
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2672835
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4841640
2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860246
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119439857
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 2665602) is 2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide is COc1ccc2c(CC(=O)Nc3cccc(SC)c3)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is RTCWLASTUUEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-21-14-6-7-16-12(11-22-17(16)10-14)8-18(20)19-13-4-3-5-15(9-13)23-2/h3-7,9-11H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2665602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).