N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide

C20H24FN3O4S — CID 7188773

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O4S/c21-18-8-4-5-9-19(18)23-11-13-24(14-12-23)29(26,27)15-10-22-20(25)16-28-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)
InChIKeyVXKRJWYVUJQKOS-UHFFFAOYSA-N
MW421.49 g/mol
LogP1.47
Rot. Bonds8

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide (PubChem CID 7188773) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
PubChem CID7188773
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O4S/c21-18-8-4-5-9-19(18)23-11-13-24(14-12-23)29(26,27)15-10-22-20(25)16-28-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25)
InChIKeyVXKRJWYVUJQKOS-UHFFFAOYSA-N
XLogP1.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16825823
2-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565382
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 25285489
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide
CID 42175473
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-propylpentanamide
CID 41349364
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide
CID 42175567
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide (CID 7188773) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide?
The InChIKey is VXKRJWYVUJQKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c21-18-8-4-5-9-19(18)23-11-13-24(14-12-23)29(26,27)15-10-22-20(25)16-28-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,25).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide has a molecular weight of 421.49 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide is sourced from PubChem (CID 7188773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).