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

C25H26N2O2S — CID 2862855

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESCOc1ccccc1N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H26N2O2S/c1-29-23-15-9-8-14-22(23)26-16-18-27(19-17-26)25(28)24(20-10-4-2-5-11-20)30-21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3
InChIKeyFXPMPLOCTNNVFP-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.88
Rot. Bonds6

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

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone (PubChem CID 2862855) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
PubChem CID2862855
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESCOc1ccccc1N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H26N2O2S/c1-29-23-15-9-8-14-22(23)26-16-18-27(19-17-26)25(28)24(20-10-4-2-5-11-20)30-21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3
InChIKeyFXPMPLOCTNNVFP-UHFFFAOYSA-N
XLogP4.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone (CID 2862855) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone is COc1ccccc1N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is FXPMPLOCTNNVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-29-23-15-9-8-14-22(23)26-16-18-27(19-17-26)25(28)24(20-10-4-2-5-11-20)30-21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 418.56 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 2862855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).