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

C26H25N3O4S — CID 20925724

IUPACN-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3cccs3)CC2)cc1
InChIInChI=1S/C26H25N3O4S/c1-32-19-10-8-18(9-11-19)28-12-14-29(15-13-28)26(31)25-24(21-6-2-3-7-22(21)33-25)27-23(30)17-20-5-4-16-34-20/h2-11,16H,12-15,17H2,1H3,(H,27,30)
InChIKeyJLJCSPGIERBDLY-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.65
Rot. Bonds6

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

N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 20925724) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
PubChem CID20925724
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3cccs3)CC2)cc1
InChIInChI=1S/C26H25N3O4S/c1-32-19-10-8-18(9-11-19)28-12-14-29(15-13-28)26(31)25-24(21-6-2-3-7-22(21)33-25)27-23(30)17-20-5-4-16-34-20/h2-11,16H,12-15,17H2,1H3,(H,27,30)
InChIKeyJLJCSPGIERBDLY-UHFFFAOYSA-N
XLogP4.65
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925721
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 22510987
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926026
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
2-(3,4-dimethoxyphenyl)-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511090
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865
2-(4-fluorophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20925810
N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide
CID 20926305

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide (CID 20925724) is N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide is COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)Cc3cccs3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is JLJCSPGIERBDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-32-19-10-8-18(9-11-19)28-12-14-29(15-13-28)26(31)25-24(21-6-2-3-7-22(21)33-25)27-23(30)17-20-5-4-16-34-20/h2-11,16H,12-15,17H2,1H3,(H,27,30).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 475.57 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 20925724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).