1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone

C20H20F2N2O2S — CID 9303446

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)CSc3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C20H20F2N2O2S/c1-14(25)15-2-5-17(6-3-15)23-8-10-24(11-9-23)20(26)13-27-19-12-16(21)4-7-18(19)22/h2-7,12H,8-11,13H2,1H3
InChIKeyVPUXJBASZXPSEH-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.61
Rot. Bonds5

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone (PubChem CID 9303446) has the molecular formula C20H20F2N2O2S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone
PubChem CID9303446
Molecular FormulaC20H20F2N2O2S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)CSc3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C20H20F2N2O2S/c1-14(25)15-2-5-17(6-3-15)23-8-10-24(11-9-23)20(26)13-27-19-12-16(21)4-7-18(19)22/h2-7,12H,8-11,13H2,1H3
InChIKeyVPUXJBASZXPSEH-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(3,4-difluorophenyl)sulfanylethanone
CID 17479365
2-(4-acetyl-2-fluorophenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 34146752
2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide
CID 8870925
3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 8867044
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 1121259
(3R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70695073
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanoate
CID 134069467
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone (CID 9303446) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone is CC(=O)c1ccc(N2CCN(C(=O)CSc3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone?
The InChIKey is VPUXJBASZXPSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2S/c1-14(25)15-2-5-17(6-3-15)23-8-10-24(11-9-23)20(26)13-27-19-12-16(21)4-7-18(19)22/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone has a molecular weight of 390.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone is sourced from PubChem (CID 9303446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).