N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide

C23H26FN3OS2 — CID 3235882

IUPACN-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)C(c1cccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H26FN3OS2/c1-17(25-22(28)16-18-6-4-14-29-18)23(21-9-5-15-30-21)27-12-10-26(11-13-27)20-8-3-2-7-19(20)24/h2-9,14-15,17,23H,10-13,16H2,1H3,(H,25,28)
InChIKeyOPSSRDBGRZEICH-UHFFFAOYSA-N
MW443.61 g/mol
LogP4.56
Rot. Bonds7

About N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide

N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 3235882) has the molecular formula C23H26FN3OS2 and a molecular weight of 443.61 g/mol. Its IUPAC name is N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide
PubChem CID3235882
Molecular FormulaC23H26FN3OS2
Molecular Weight443.61 g/mol
Exact Mass443.15
IUPAC NameN-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)C(c1cccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H26FN3OS2/c1-17(25-22(28)16-18-6-4-14-29-18)23(21-9-5-15-30-21)27-12-10-26(11-13-27)20-8-3-2-7-19(20)24/h2-9,14-15,17,23H,10-13,16H2,1H3,(H,25,28)
InChIKeyOPSSRDBGRZEICH-UHFFFAOYSA-N
XLogP4.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide (CID 3235882) is N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide is CC(NC(=O)Cc1cccs1)C(c1cccs1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is OPSSRDBGRZEICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3OS2/c1-17(25-22(28)16-18-6-4-14-29-18)23(21-9-5-15-30-21)27-12-10-26(11-13-27)20-8-3-2-7-19(20)24/h2-9,14-15,17,23H,10-13,16H2,1H3,(H,25,28).
What are the key properties of N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide?
N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 443.61 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3235882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).