N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C22H28F3N3O5S2 — CID 146074146

About N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid

N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146074146) has the molecular formula C22H28F3N3O5S2 and a molecular weight of 535.61 g/mol. Its IUPAC name is N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 146074146
• Molecular Formula: C22H28F3N3O5S2
• Molecular Weight: 535.61 g/mol
• Exact Mass: 535.14
• IUPAC Name: N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1cccs1)c1ccccc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H27N3O3S2.C2HF3O2/c1-17(18-6-3-2-4-7-18)16-22(20(24)19-8-5-14-27-19)13-15-28(25,26)23-11-9-21-10-12-23;3-2(4,5)1(6)7/h2-8,14,17,21H,9-13,15-16H2,1H3;(H,6,7)
• InChIKey: CSLVDWNCMAFNJD-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 107.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.61
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 146074146) is N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is CC(CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1cccs1)c1ccccc1.O=C(O)C(F)(F)F.

What is the InChIKey of N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is CSLVDWNCMAFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2.C2HF3O2/c1-17(18-6-3-2-4-7-18)16-22(20(24)19-8-5-14-27-19)13-15-28(25,26)23-11-9-21-10-12-23;3-2(4,5)1(6)7/h2-8,14,17,21H,9-13,15-16H2,1H3;(H,6,7).

What are the key properties of N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 535.61 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146074146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).