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

C25H22FN3O3S — CID 20925721

IUPACN-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12
InChIInChI=1S/C25H22FN3O3S/c26-17-7-9-18(10-8-17)28-11-13-29(14-12-28)25(31)24-23(20-5-1-2-6-21(20)32-24)27-22(30)16-19-4-3-15-33-19/h1-10,15H,11-14,16H2,(H,27,30)
InChIKeyRJAACSGQAHDELB-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.78
Rot. Bonds5

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

N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 20925721) has the molecular formula C25H22FN3O3S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
PubChem CID20925721
Molecular FormulaC25H22FN3O3S
Molecular Weight463.53 g/mol
Exact Mass463.14
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12
InChIInChI=1S/C25H22FN3O3S/c26-17-7-9-18(10-8-17)28-11-13-29(14-12-28)25(31)24-23(20-5-1-2-6-21(20)32-24)27-22(30)16-19-4-3-15-33-19/h1-10,15H,11-14,16H2,(H,27,30)
InChIKeyRJAACSGQAHDELB-UHFFFAOYSA-N
XLogP4.78
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925724
2-(4-fluorophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20925810
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925892
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925795
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535200
2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 22510987
N,N-dipropyl-3-[(2-thiophen-2-ylacetyl)amino]-1-benzofuran-2-carboxamide
CID 20926305
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide (CID 20925721) is N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is RJAACSGQAHDELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3S/c26-17-7-9-18(10-8-17)28-11-13-29(14-12-28)25(31)24-23(20-5-1-2-6-21(20)32-24)27-22(30)16-19-4-3-15-33-19/h1-10,15H,11-14,16H2,(H,27,30).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide?
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 463.53 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 20925721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).