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

C21H26FN3O4S — CID 42175267

IUPAC2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(COc1ccccc1F)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26FN3O4S/c22-19-9-4-5-10-20(19)29-17-21(26)23-11-6-16-30(27,28)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,23,26)
InChIKeyAKZZZAYMLDXATJ-UHFFFAOYSA-N
MW435.52 g/mol
LogP1.86
Rot. Bonds9

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

2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide (PubChem CID 42175267) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
PubChem CID42175267
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC Name2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(COc1ccccc1F)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26FN3O4S/c22-19-9-4-5-10-20(19)29-17-21(26)23-11-6-16-30(27,28)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,23,26)
InChIKeyAKZZZAYMLDXATJ-UHFFFAOYSA-N
XLogP1.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175689
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175258
4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide
CID 42175402
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
CID 42175822
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
2-(2-methoxyphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439652
2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide
CID 16890198
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide (CID 42175267) is 2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide is O=C(COc1ccccc1F)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The InChIKey is AKZZZAYMLDXATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c22-19-9-4-5-10-20(19)29-17-21(26)23-11-6-16-30(27,28)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,23,26).
What are the key properties of 2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide is sourced from PubChem (CID 42175267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).