2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone

C24H24N2OS — CID 2886289

IUPAC2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H24N2OS/c27-24(26-18-16-25(17-19-26)21-12-6-2-7-13-21)23(20-10-4-1-5-11-20)28-22-14-8-3-9-15-22/h1-15,23H,16-19H2
InChIKeyVQVKSFQLRPTEDX-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.87
Rot. Bonds5

About 2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone

2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone (PubChem CID 2886289) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone
PubChem CID2886289
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H24N2OS/c27-24(26-18-16-25(17-19-26)21-12-6-2-7-13-21)23(20-10-4-1-5-11-20)28-22-14-8-3-9-15-22/h1-15,23H,16-19H2
InChIKeyVQVKSFQLRPTEDX-UHFFFAOYSA-N
XLogP4.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone?
The IUPAC name of 2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone (CID 2886289) is 2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone is O=C(C(Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone?
The InChIKey is VQVKSFQLRPTEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c27-24(26-18-16-25(17-19-26)21-12-6-2-7-13-21)23(20-10-4-1-5-11-20)28-22-14-8-3-9-15-22/h1-15,23H,16-19H2.
What are the key properties of 2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone?
2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone has a molecular weight of 388.54 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-phenylpiperazin-1-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 2886289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).