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

C25H29N3O4S — CID 42175258

IUPAC2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H29N3O4S/c29-25(20-32-24-12-11-21-7-4-5-8-22(21)19-24)26-13-6-18-33(30,31)28-16-14-27(15-17-28)23-9-2-1-3-10-23/h1-5,7-12,19H,6,13-18,20H2,(H,26,29)
InChIKeyJXXVMGKBNHXTKC-UHFFFAOYSA-N
MW467.59 g/mol
LogP2.88
Rot. Bonds9

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

2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide (PubChem CID 42175258) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
PubChem CID42175258
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H29N3O4S/c29-25(20-32-24-12-11-21-7-4-5-8-22(21)19-24)26-13-6-18-33(30,31)28-16-14-27(15-17-28)23-9-2-1-3-10-23/h1-5,7-12,19H,6,13-18,20H2,(H,26,29)
InChIKeyJXXVMGKBNHXTKC-UHFFFAOYSA-N
XLogP2.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide 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

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide
CID 42175402
2-naphthalen-2-yloxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439142
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-phenoxyacetamide
CID 42175822
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175689
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-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
2-naphthalen-2-yloxy-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 16889464
2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 25285504

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide (CID 42175258) is 2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide is O=C(COc1ccc2ccccc2c1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The InChIKey is JXXVMGKBNHXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c29-25(20-32-24-12-11-21-7-4-5-8-22(21)19-24)26-13-6-18-33(30,31)28-16-14-27(15-17-28)23-9-2-1-3-10-23/h1-5,7-12,19H,6,13-18,20H2,(H,26,29).
What are the key properties of 2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide has a molecular weight of 467.59 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide is sourced from PubChem (CID 42175258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).