3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide

C24H25F2N3OS — CID 92665971

About 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide

3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 92665971) has the molecular formula C24H25F2N3OS and a molecular weight of 441.55 g/mol. Its IUPAC name is 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
• PubChem CID: 92665971
• Molecular Formula: C24H25F2N3OS
• Molecular Weight: 441.55 g/mol
• Exact Mass: 441.17
• IUPAC Name: 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
• SMILES: C[C@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1
• InChI: InChI=1S/C24H25F2N3OS/c1-17(27-24(30)18-6-4-7-19(25)16-18)23(22-10-5-15-31-22)29-13-11-28(12-14-29)21-9-3-2-8-20(21)26/h2-10,15-17,23H,11-14H2,1H3,(H,27,30)/t17-,23+/m0/s1
• InChIKey: LPVILOVMOHCBRE-GAJHUEQPSA-N
• XLogP: 4.71
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.55
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?

The IUPAC name of 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide (CID 92665971) is 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide.

What is the SMILES notation for 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?

The canonical SMILES for 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide is C[C@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1.

What is the InChIKey of 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?

The InChIKey is LPVILOVMOHCBRE-GAJHUEQPSA-N. The full InChI is InChI=1S/C24H25F2N3OS/c1-17(27-24(30)18-6-4-7-19(25)16-18)23(22-10-5-15-31-22)29-13-11-28(12-14-29)21-9-3-2-8-20(21)26/h2-10,15-17,23H,11-14H2,1H3,(H,27,30)/t17-,23+/m0/s1.

What are the key properties of 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide?

3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 441.55 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 92665971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).