[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone

C20H22N2O2S2 — CID 137399891

IUPAC[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCN(C(=O)c3ccc(SC)cc3)CC2)cc1
InChIInChI=1S/C20H22N2O2S2/c1-25-17-7-3-15(4-8-17)19(23)21-11-13-22(14-12-21)20(24)16-5-9-18(26-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyLXKORZPGCVIOFH-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.73
Rot. Bonds4

About [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone

[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 137399891) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID137399891
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCN(C(=O)c3ccc(SC)cc3)CC2)cc1
InChIInChI=1S/C20H22N2O2S2/c1-25-17-7-3-15(4-8-17)19(23)21-11-13-22(14-12-21)20(24)16-5-9-18(26-2)10-6-16/h3-10H,11-14H2,1-2H3
InChIKeyLXKORZPGCVIOFH-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone 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 [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone (CID 137399891) is [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)N2CCN(C(=O)c3ccc(SC)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is LXKORZPGCVIOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-25-17-7-3-15(4-8-17)19(23)21-11-13-22(14-12-21)20(24)16-5-9-18(26-2)10-6-16/h3-10H,11-14H2,1-2H3.
What are the key properties of [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 386.54 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 137399891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).