N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C18H18ClNO2S — CID 46575789

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC(C)c3ccc(Cl)s3)coc2c1C
InChIInChI=1S/C18H18ClNO2S/c1-10-4-5-14-13(9-22-18(14)11(10)2)8-17(21)20-12(3)15-6-7-16(19)23-15/h4-7,9,12H,8H2,1-3H3,(H,20,21)
InChIKeyUMMAIUWUBMIZNL-UHFFFAOYSA-N
MW347.87 g/mol
LogP5.18
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 46575789) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID46575789
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC(C)c3ccc(Cl)s3)coc2c1C
InChIInChI=1S/C18H18ClNO2S/c1-10-4-5-14-13(9-22-18(14)11(10)2)8-17(21)20-12(3)15-6-7-16(19)23-15/h4-7,9,12H,8H2,1-3H3,(H,20,21)
InChIKeyUMMAIUWUBMIZNL-UHFFFAOYSA-N
XLogP5.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.87
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 51121857
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
N-[1-(3,4-difluorophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 43000615
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617694
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 39271926
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17466272
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604497

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 46575789) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)NC(C)c3ccc(Cl)s3)coc2c1C.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is UMMAIUWUBMIZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c1-10-4-5-14-13(9-22-18(14)11(10)2)8-17(21)20-12(3)15-6-7-16(19)23-15/h4-7,9,12H,8H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 347.87 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 46575789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).