1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone

C19H20N2O2S — CID 24736200

IUPAC1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc3cc(-c4ccsc4)ccc3o2)CC1
InChIInChI=1S/C19H20N2O2S/c1-14(22)21-7-5-20(6-8-21)12-18-11-17-10-15(2-3-19(17)23-18)16-4-9-24-13-16/h2-4,9-11,13H,5-8,12H2,1H3
InChIKeyGLALOVSBFCNBKA-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.83
Rot. Bonds3

About 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 24736200) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID24736200
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc3cc(-c4ccsc4)ccc3o2)CC1
InChIInChI=1S/C19H20N2O2S/c1-14(22)21-7-5-20(6-8-21)12-18-11-17-10-15(2-3-19(17)23-18)16-4-9-24-13-16/h2-4,9-11,13H,5-8,12H2,1H3
InChIKeyGLALOVSBFCNBKA-UHFFFAOYSA-N
XLogP3.83
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone (CID 24736200) is 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cc3cc(-c4ccsc4)ccc3o2)CC1.
What is the InChIKey of 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is GLALOVSBFCNBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14(22)21-7-5-20(6-8-21)12-18-11-17-10-15(2-3-19(17)23-18)16-4-9-24-13-16/h2-4,9-11,13H,5-8,12H2,1H3.
What are the key properties of 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 340.45 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 24736200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).