N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide

C25H28FN3O4S — CID 42175402

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H28FN3O4S/c26-22-7-9-23(10-8-22)28-13-15-29(16-14-28)34(31,32)17-3-12-27-25(30)19-33-24-11-6-20-4-1-2-5-21(20)18-24/h1-2,4-11,18H,3,12-17,19H2,(H,27,30)
InChIKeyGAYUJQYTXCDGJQ-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.02
Rot. Bonds9

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 42175402) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide
PubChem CID42175402
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H28FN3O4S/c26-22-7-9-23(10-8-22)28-13-15-29(16-14-28)34(31,32)17-3-12-27-25(30)19-33-24-11-6-20-4-1-2-5-21(20)18-24/h1-2,4-11,18H,3,12-17,19H2,(H,27,30)
InChIKeyGAYUJQYTXCDGJQ-UHFFFAOYSA-N
XLogP3.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175258
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
2-naphthalen-2-yloxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439142
2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175689
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
CID 42175822
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(4-fluorophenoxy)acetamide
CID 27377357

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide (CID 42175402) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is GAYUJQYTXCDGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c26-22-7-9-23(10-8-22)28-13-15-29(16-14-28)34(31,32)17-3-12-27-25(30)19-33-24-11-6-20-4-1-2-5-21(20)18-24/h1-2,4-11,18H,3,12-17,19H2,(H,27,30).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 485.58 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 42175402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).