N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide

C21H23NO3S — CID 58047674

IUPACN-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide
SMILESCCSc1ccc(COc2ccc3c(C(C)NC(C)=O)coc3c2)cc1
InChIInChI=1S/C21H23NO3S/c1-4-26-18-8-5-16(6-9-18)12-24-17-7-10-19-20(13-25-21(19)11-17)14(2)22-15(3)23/h5-11,13-14H,4,12H2,1-3H3,(H,22,23)
InChIKeyNYZVTZDOXVWZAR-UHFFFAOYSA-N
MW369.49 g/mol
LogP5.32
Rot. Bonds7

About N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide

N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide (PubChem CID 58047674) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide
PubChem CID58047674
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC NameN-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide
SMILESCCSc1ccc(COc2ccc3c(C(C)NC(C)=O)coc3c2)cc1
InChIInChI=1S/C21H23NO3S/c1-4-26-18-8-5-16(6-9-18)12-24-17-7-10-19-20(13-25-21(19)11-17)14(2)22-15(3)23/h5-11,13-14H,4,12H2,1-3H3,(H,22,23)
InChIKeyNYZVTZDOXVWZAR-UHFFFAOYSA-N
XLogP5.32
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid
CID 58047621
N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047353
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
3-(1-azidoethyl)-6-[(4-ethoxyphenoxy)methyl]-1-benzofuran
CID 58047188
ethyl 4-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]benzoate
CID 67279205
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 9477513
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7719010
methyl 3-(4-chlorophenyl)-2-[7-[(4-chlorophenyl)methoxy]-2-oxochromen-4-yl]propanoate
CID 4086247
3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
N-[1-(6-phenylmethoxy-3H-indol-2-yl)ethyl]acetamide
CID 58047620
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide?
The IUPAC name of N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide (CID 58047674) is N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide is CCSc1ccc(COc2ccc3c(C(C)NC(C)=O)coc3c2)cc1.
What is the InChIKey of N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide?
The InChIKey is NYZVTZDOXVWZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-4-26-18-8-5-16(6-9-18)12-24-17-7-10-19-20(13-25-21(19)11-17)14(2)22-15(3)23/h5-11,13-14H,4,12H2,1-3H3,(H,22,23).
What are the key properties of N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide?
N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide is sourced from PubChem (CID 58047674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).