N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide

C25H23N3O3S — CID 20925715

IUPACN-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12
InChIInChI=1S/C25H23N3O3S/c29-22(17-19-9-6-16-32-19)26-23-20-10-4-5-11-21(20)31-24(23)25(30)28-14-12-27(13-15-28)18-7-2-1-3-8-18/h1-11,16H,12-15,17H2,(H,26,29)
InChIKeyAINSMRQSUQLICW-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.64
Rot. Bonds5

About N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide

N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 20925715) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
PubChem CID20925715
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12
InChIInChI=1S/C25H23N3O3S/c29-22(17-19-9-6-16-32-19)26-23-20-10-4-5-11-21(20)31-24(23)25(30)28-14-12-27(13-15-28)18-7-2-1-3-8-18/h1-11,16H,12-15,17H2,(H,26,29)
InChIKeyAINSMRQSUQLICW-UHFFFAOYSA-N
XLogP4.64
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide (CID 20925715) is N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccccc12.
What is the InChIKey of N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is AINSMRQSUQLICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c29-22(17-19-9-6-16-32-19)26-23-20-10-4-5-11-21(20)31-24(23)25(30)28-14-12-27(13-15-28)18-7-2-1-3-8-18/h1-11,16H,12-15,17H2,(H,26,29).
What are the key properties of N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 445.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 20925715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).