2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide

C21H26FN3O3S — CID 42175274

IUPAC2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26FN3O3S/c22-19-9-7-18(8-10-19)17-21(26)23-11-4-16-29(27,28)25-14-12-24(13-15-25)20-5-2-1-3-6-20/h1-3,5-10H,4,11-17H2,(H,23,26)
InChIKeyQLOUQKDKTLPKSA-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.03
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide

2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide (PubChem CID 42175274) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
PubChem CID42175274
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26FN3O3S/c22-19-9-7-18(8-10-19)17-21(26)23-11-4-16-29(27,28)25-14-12-24(13-15-25)20-5-2-1-3-6-20/h1-3,5-10H,4,11-17H2,(H,23,26)
InChIKeyQLOUQKDKTLPKSA-UHFFFAOYSA-N
XLogP2.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175277
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide
CID 42175567
2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42440195
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide
CID 42175402
3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175197
2-oxo-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]-1H-pyridine-3-carboxamide
CID 42175326
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide
CID 42175355

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide (CID 42175274) is 2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide is O=C(Cc1ccc(F)cc1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The InChIKey is QLOUQKDKTLPKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c22-19-9-7-18(8-10-19)17-21(26)23-11-4-16-29(27,28)25-14-12-24(13-15-25)20-5-2-1-3-6-20/h1-3,5-10H,4,11-17H2,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide has a molecular weight of 419.52 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide is sourced from PubChem (CID 42175274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).