N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide

C20H21NO2S — CID 53238182

IUPACN-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=C(Cc2ccsc2)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C20H21NO2S/c1-13(22)21-7-4-17-16(10-14-6-9-24-12-14)11-15-2-3-19-18(20(15)17)5-8-23-19/h2-3,6,9,12H,4-5,7-8,10-11H2,1H3,(H,21,22)
InChIKeyYGDNNDGJMINIGX-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.76
Rot. Bonds5

About N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide

N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide (PubChem CID 53238182) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
PubChem CID53238182
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
SMILESCC(=O)NCCC1=C(Cc2ccsc2)Cc2ccc3c(c21)CCO3
InChIInChI=1S/C20H21NO2S/c1-13(22)21-7-4-17-16(10-14-6-9-24-12-14)11-15-2-3-19-18(20(15)17)5-8-23-19/h2-3,6,9,12H,4-5,7-8,10-11H2,1H3,(H,21,22)
InChIKeyYGDNNDGJMINIGX-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide (CID 53238182) is N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide is CC(=O)NCCC1=C(Cc2ccsc2)Cc2ccc3c(c21)CCO3.
What is the InChIKey of N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
The InChIKey is YGDNNDGJMINIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-13(22)21-7-4-17-16(10-14-6-9-24-12-14)11-15-2-3-19-18(20(15)17)5-8-23-19/h2-3,6,9,12H,4-5,7-8,10-11H2,1H3,(H,21,22).
What are the key properties of N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide?
N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(thiophen-3-ylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide is sourced from PubChem (CID 53238182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).