2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

C22H25N3OS2 — CID 8864417

About 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 8864417) has the molecular formula C22H25N3OS2 and a molecular weight of 411.60 g/mol. Its IUPAC name is 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
• PubChem CID: 8864417
• Molecular Formula: C22H25N3OS2
• Molecular Weight: 411.60 g/mol
• Exact Mass: 411.14
• IUPAC Name: 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
• SMILES: O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCN(Cc2cccs2)CC1
• InChI: InChI=1S/C22H25N3OS2/c26-21(25-12-10-24(11-13-25)17-19-8-4-14-27-19)16-23-22(20-9-5-15-28-20)18-6-2-1-3-7-18/h1-9,14-15,22-23H,10-13,16-17H2/t22-/m1/s1
• InChIKey: CCDMPWBZSMKAMV-JOCHJYFZSA-N
• XLogP: 3.83
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.60
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (CID 8864417) is 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCN(Cc2cccs2)CC1.

What is the InChIKey of 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?

The InChIKey is CCDMPWBZSMKAMV-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N3OS2/c26-21(25-12-10-24(11-13-25)17-19-8-4-14-27-19)16-23-22(20-9-5-15-28-20)18-6-2-1-3-7-18/h1-9,14-15,22-23H,10-13,16-17H2/t22-/m1/s1.

What are the key properties of 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?

2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 411.60 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 8864417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).