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

C22H28FN3O4S — CID 16881283

IUPAC2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28FN3O4S/c23-20-6-8-21(9-7-20)30-18-22(27)24-11-17-31(28,29)26-15-13-25(14-16-26)12-10-19-4-2-1-3-5-19/h1-9H,10-18H2,(H,24,27)
InChIKeyBERZIAIMRWBIBL-UHFFFAOYSA-N
MW449.55 g/mol
LogP1.51
Rot. Bonds10

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

2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide (PubChem CID 16881283) has the molecular formula C22H28FN3O4S and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
PubChem CID16881283
Molecular FormulaC22H28FN3O4S
Molecular Weight449.55 g/mol
Exact Mass449.18
IUPAC Name2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28FN3O4S/c23-20-6-8-21(9-7-20)30-18-22(27)24-11-17-31(28,29)26-15-13-25(14-16-26)12-10-19-4-2-1-3-5-19/h1-9H,10-18H2,(H,24,27)
InChIKeyBERZIAIMRWBIBL-UHFFFAOYSA-N
XLogP1.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 7188773
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
CID 16881168
4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196142
5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 16881315
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(4-fluorophenoxy)acetamide
CID 27377357
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide (CID 16881283) is 2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide is O=C(COc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
The InChIKey is BERZIAIMRWBIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4S/c23-20-6-8-21(9-7-20)30-18-22(27)24-11-17-31(28,29)26-15-13-25(14-16-26)12-10-19-4-2-1-3-5-19/h1-9H,10-18H2,(H,24,27).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide has a molecular weight of 449.55 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide is sourced from PubChem (CID 16881283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).