2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide

C20H26FN3OS — CID 3236509

IUPAC2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C20H26FN3OS/c1-15(22-19(25)14-16-5-7-17(21)8-6-16)20(18-4-3-13-26-18)24-11-9-23(2)10-12-24/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyZLUPLXHYDPNXFN-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.92
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide

2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 3236509) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID3236509
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC Name2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C20H26FN3OS/c1-15(22-19(25)14-16-5-7-17(21)8-6-16)20(18-4-3-13-26-18)24-11-9-23(2)10-12-24/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyZLUPLXHYDPNXFN-UHFFFAOYSA-N
XLogP2.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide 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 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide (CID 3236509) is 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide is CC(NC(=O)Cc1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is ZLUPLXHYDPNXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3OS/c1-15(22-19(25)14-16-5-7-17(21)8-6-16)20(18-4-3-13-26-18)24-11-9-23(2)10-12-24/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 375.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 3236509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).