1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

C22H27FN4O4S2 — CID 24680350

IUPAC1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)CN3CCN(S(=O)(=O)c4cccs4)CC3)CC2)c(F)c1
InChIInChI=1S/C22H27FN4O4S2/c1-17(28)18-4-5-20(19(23)15-18)25-8-10-26(11-9-25)21(29)16-24-6-12-27(13-7-24)33(30,31)22-3-2-14-32-22/h2-5,14-15H,6-13,16H2,1H3
InChIKeyGJJWLZZLSHHGKG-UHFFFAOYSA-N
MW494.61 g/mol
LogP1.74
Rot. Bonds6

About 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 24680350) has the molecular formula C22H27FN4O4S2 and a molecular weight of 494.61 g/mol. Its IUPAC name is 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID24680350
Molecular FormulaC22H27FN4O4S2
Molecular Weight494.61 g/mol
Exact Mass494.15
IUPAC Name1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)CN3CCN(S(=O)(=O)c4cccs4)CC3)CC2)c(F)c1
InChIInChI=1S/C22H27FN4O4S2/c1-17(28)18-4-5-20(19(23)15-18)25-8-10-26(11-9-25)21(29)16-24-6-12-27(13-7-24)33(30,31)22-3-2-14-32-22/h2-5,14-15H,6-13,16H2,1H3
InChIKeyGJJWLZZLSHHGKG-UHFFFAOYSA-N
XLogP1.74
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366490
1-(3,4-dimethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 110366560
1-[3-fluoro-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 26541806
N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 9111668
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 18120082
1-[3-fluoro-4-[4-(3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 16574376
N-(3,5-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680339
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
1-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55740858
(2R)-1-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119914016
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 19527538
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 24680350) is 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is CC(=O)c1ccc(N2CCN(C(=O)CN3CCN(S(=O)(=O)c4cccs4)CC3)CC2)c(F)c1.
What is the InChIKey of 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is GJJWLZZLSHHGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O4S2/c1-17(28)18-4-5-20(19(23)15-18)25-8-10-26(11-9-25)21(29)16-24-6-12-27(13-7-24)33(30,31)22-3-2-14-32-22/h2-5,14-15H,6-13,16H2,1H3.
What are the key properties of 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 494.61 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 24680350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).