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

C20H17NO3S — CID 55747538

IUPACN-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NCc3csc4ccccc34)coc2c1
InChIInChI=1S/C20H17NO3S/c1-23-15-6-7-16-13(11-24-18(16)9-15)8-20(22)21-10-14-12-25-19-5-3-2-4-17(14)19/h2-7,9,11-12H,8,10H2,1H3,(H,21,22)
InChIKeyRSTUKPSYHQJNTD-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.51
Rot. Bonds5

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

N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 55747538) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID55747538
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NCc3csc4ccccc34)coc2c1
InChIInChI=1S/C20H17NO3S/c1-23-15-6-7-16-13(11-24-18(16)9-15)8-20(22)21-10-14-12-25-19-5-3-2-4-17(14)19/h2-7,9,11-12H,8,10H2,1H3,(H,21,22)
InChIKeyRSTUKPSYHQJNTD-UHFFFAOYSA-N
XLogP4.51
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 27335472
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 31449553
N-[(2,4-dichlorophenyl)methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2707238
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 86858133
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
[(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504369
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538741

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 55747538) is N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)NCc3csc4ccccc34)coc2c1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is RSTUKPSYHQJNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-23-15-6-7-16-13(11-24-18(16)9-15)8-20(22)21-10-14-12-25-19-5-3-2-4-17(14)19/h2-7,9,11-12H,8,10H2,1H3,(H,21,22).
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 55747538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).