2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide

C26H31N3O3S — CID 16881299

IUPAC2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H31N3O3S/c30-26(21-24-11-6-10-23-9-4-5-12-25(23)24)27-14-20-33(31,32)29-18-16-28(17-19-29)15-13-22-7-2-1-3-8-22/h1-12H,13-21H2,(H,27,30)
InChIKeyLSCYFBWKCPNKPT-UHFFFAOYSA-N
MW465.62 g/mol
LogP2.69
Rot. Bonds9

About 2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide

2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide (PubChem CID 16881299) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
PubChem CID16881299
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H31N3O3S/c30-26(21-24-11-6-10-23-9-4-5-12-25(23)24)27-14-20-33(31,32)29-18-16-28(17-19-29)15-13-22-7-2-1-3-8-22/h1-12H,13-21H2,(H,27,30)
InChIKeyLSCYFBWKCPNKPT-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-naphthalen-1-ylacetamide
CID 41349801
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175277
4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 16881315
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215
N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
CID 16881168
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide (CID 16881299) is 2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide is O=C(Cc1cccc2ccccc12)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
The InChIKey is LSCYFBWKCPNKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c30-26(21-24-11-6-10-23-9-4-5-12-25(23)24)27-14-20-33(31,32)29-18-16-28(17-19-29)15-13-22-7-2-1-3-8-22/h1-12H,13-21H2,(H,27,30).
What are the key properties of 2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide has a molecular weight of 465.62 g/mol, XLogP of 2.69, 9 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-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide is sourced from PubChem (CID 16881299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).