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

C25H29N3O3S — CID 42175277

IUPAC2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H29N3O3S/c29-25(20-22-10-6-9-21-8-4-5-13-24(21)22)26-14-7-19-32(30,31)28-17-15-27(16-18-28)23-11-2-1-3-12-23/h1-6,8-13H,7,14-20H2,(H,26,29)
InChIKeyFJJRNOLKIXYMGS-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.04
Rot. Bonds8

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

2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide (PubChem CID 42175277) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
PubChem CID42175277
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H29N3O3S/c29-25(20-22-10-6-9-21-8-4-5-13-24(21)22)26-14-7-19-32(30,31)28-17-15-27(16-18-28)23-11-2-1-3-12-23/h1-6,8-13H,7,14-20H2,(H,26,29)
InChIKeyFJJRNOLKIXYMGS-UHFFFAOYSA-N
XLogP3.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.04
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

N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-naphthalen-1-ylacetamide
CID 27377379
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-naphthalen-1-ylacetamide
CID 41349801
2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175258
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175197
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
CID 7188820
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42440195
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide (CID 42175277) is 2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide is O=C(Cc1cccc2ccccc12)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
The InChIKey is FJJRNOLKIXYMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c29-25(20-22-10-6-9-21-8-4-5-13-24(21)22)26-14-7-19-32(30,31)28-17-15-27(16-18-28)23-11-2-1-3-12-23/h1-6,8-13H,7,14-20H2,(H,26,29).
What are the key properties of 2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide?
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide has a molecular weight of 451.59 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide is sourced from PubChem (CID 42175277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).