2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C23H23N3OS — CID 4600148

IUPAC2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H23N3OS/c27-23(26-17-15-25(16-18-26)21-13-7-8-14-24-21)22(19-9-3-1-4-10-19)28-20-11-5-2-6-12-20/h1-14,22H,15-18H2
InChIKeyLXUKCGHZRRLNRH-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.26
Rot. Bonds5

About 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 4600148) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID4600148
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C(Sc1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H23N3OS/c27-23(26-17-15-25(16-18-26)21-13-7-8-14-24-21)22(19-9-3-1-4-10-19)28-20-11-5-2-6-12-20/h1-14,22H,15-18H2
InChIKeyLXUKCGHZRRLNRH-UHFFFAOYSA-N
XLogP4.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 4600148) is 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(C(Sc1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is LXUKCGHZRRLNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c27-23(26-17-15-25(16-18-26)21-13-7-8-14-24-21)22(19-9-3-1-4-10-19)28-20-11-5-2-6-12-20/h1-14,22H,15-18H2.
What are the key properties of 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 389.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 4600148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).