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

C22H28FN3O3S — CID 16881293

IUPAC2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28FN3O3S/c23-21-8-6-20(7-9-21)18-22(27)24-11-17-30(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)
InChIKeyXKUKJQRMBGEQEU-UHFFFAOYSA-N
MW433.55 g/mol
LogP1.67
Rot. Bonds9

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

2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide (PubChem CID 16881293) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
PubChem CID16881293
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28FN3O3S/c23-21-8-6-20(7-9-21)18-22(27)24-11-17-30(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)
InChIKeyXKUKJQRMBGEQEU-UHFFFAOYSA-N
XLogP1.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide (CID 16881293) is 2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
The InChIKey is XKUKJQRMBGEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c23-21-8-6-20(7-9-21)18-22(27)24-11-17-30(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-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide is sourced from PubChem (CID 16881293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).