2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C23H20N2O3S — CID 9022766

IUPAC2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1coc2ccc3ccccc3c12)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H20N2O3S/c26-21(24-9-11-25(12-10-24)23(27)20-6-3-13-29-20)14-17-15-28-19-8-7-16-4-1-2-5-18(16)22(17)19/h1-8,13,15H,9-12,14H2
InChIKeyBFBPVOREDWYABB-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.17
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 9022766) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID9022766
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1coc2ccc3ccccc3c12)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H20N2O3S/c26-21(24-9-11-25(12-10-24)23(27)20-6-3-13-29-20)14-17-15-28-19-8-7-16-4-1-2-5-18(16)22(17)19/h1-8,13,15H,9-12,14H2
InChIKeyBFBPVOREDWYABB-UHFFFAOYSA-N
XLogP4.17
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4628724
2-benzo[e][1]benzofuran-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone
CID 7974773
2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451880
2-(1H-indol-3-yl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110807857
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
2-(2-nitrophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 18115116
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
1-phenyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 9022754
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
3-(2-aminophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 120608216

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 9022766) is 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1coc2ccc3ccccc3c12)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is BFBPVOREDWYABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c26-21(24-9-11-25(12-10-24)23(27)20-6-3-13-29-20)14-17-15-28-19-8-7-16-4-1-2-5-18(16)22(17)19/h1-8,13,15H,9-12,14H2.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 404.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9022766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).