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

C20H24FN3O3S — CID 7188818

IUPAC2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24FN3O3S/c21-18-8-6-17(7-9-18)16-20(25)22-10-15-28(26,27)24-13-11-23(12-14-24)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,25)
InChIKeyADFQBOWNVVTPGD-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.64
Rot. Bonds7

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

2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide (PubChem CID 7188818) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
PubChem CID7188818
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24FN3O3S/c21-18-8-6-17(7-9-18)16-20(25)22-10-15-28(26,27)24-13-11-23(12-14-24)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,25)
InChIKeyADFQBOWNVVTPGD-UHFFFAOYSA-N
XLogP1.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.64
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-phenylpiperazin-1-yl)sulfonylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide (CID 7188818) is 2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide?
The InChIKey is ADFQBOWNVVTPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c21-18-8-6-17(7-9-18)16-20(25)22-10-15-28(26,27)24-13-11-23(12-14-24)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 1.64, 7 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-phenylpiperazin-1-yl)sulfonylethyl]acetamide is sourced from PubChem (CID 7188818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).