2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C16H15NO2S — CID 2675116

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc2c(CC(=O)NCc3cccs3)coc2c1
InChIInChI=1S/C16H15NO2S/c1-11-4-5-14-12(10-19-15(14)7-11)8-16(18)17-9-13-3-2-6-20-13/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyBXSGUKHJPPZCBJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.66
Rot. Bonds4

About 2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2675116) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2675116
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc2c(CC(=O)NCc3cccs3)coc2c1
InChIInChI=1S/C16H15NO2S/c1-11-4-5-14-12(10-19-15(14)7-11)8-16(18)17-9-13-3-2-6-20-13/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyBXSGUKHJPPZCBJ-UHFFFAOYSA-N
XLogP3.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 16437487
N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 2675152
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 16438239
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2-furylmethyl)acetamide
CID 1243461
2-[[2-(6-Methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 2115913
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2469541
2-(6-Methyl-1-benzofuran-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2547744
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-(thiophen-2-ylmethyl)propanamide
CID 2957599
N-[1-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 3244519
N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8087327
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 18157867
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 24686991

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 2675116) is 2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc2c(CC(=O)NCc3cccs3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BXSGUKHJPPZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11-4-5-14-12(10-19-15(14)7-11)8-16(18)17-9-13-3-2-6-20-13/h2-7,10H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2675116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).