1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone

C24H23FN2OS — CID 2914277

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H23FN2OS/c25-21-13-7-8-14-22(21)26-15-17-27(18-16-26)24(28)23(19-9-3-1-4-10-19)29-20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyFMADPVXRTFIHAS-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.01
Rot. Bonds5

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone (PubChem CID 2914277) has the molecular formula C24H23FN2OS and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
PubChem CID2914277
Molecular FormulaC24H23FN2OS
Molecular Weight406.53 g/mol
Exact Mass406.15
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H23FN2OS/c25-21-13-7-8-14-22(21)26-15-17-27(18-16-26)24(28)23(19-9-3-1-4-10-19)29-20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyFMADPVXRTFIHAS-UHFFFAOYSA-N
XLogP5.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone (CID 2914277) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone is O=C(C(Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is FMADPVXRTFIHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2OS/c25-21-13-7-8-14-22(21)26-15-17-27(18-16-26)24(28)23(19-9-3-1-4-10-19)29-20-11-5-2-6-12-20/h1-14,23H,15-18H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 406.53 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 2914277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).