2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C20H24N2O4S — CID 31686501

IUPAC2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCc1ccc(-c2ccc(OCC(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-3-5-17(6-4-16)18-7-9-19(10-8-18)26-15-20(23)21-11-13-22(14-12-21)27(2,24)25/h3-10H,11-15H2,1-2H3
InChIKeyHOBDMKYZPCGCBL-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.14
Rot. Bonds5

About 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 31686501) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID31686501
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCc1ccc(-c2ccc(OCC(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-3-5-17(6-4-16)18-7-9-19(10-8-18)26-15-20(23)21-11-13-22(14-12-21)27(2,24)25/h3-10H,11-15H2,1-2H3
InChIKeyHOBDMKYZPCGCBL-UHFFFAOYSA-N
XLogP2.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-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

Related Compounds

2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2,2,2-trifluoro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533453
4-chloro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108569907
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 8640845
N-[4-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]sulfonylphenyl]acetamide;oxalic acid
CID 126477298
4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethoxy]benzonitrile
CID 18120074
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 31686501) is 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is Cc1ccc(-c2ccc(OCC(=O)N3CCN(S(C)(=O)=O)CC3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is HOBDMKYZPCGCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-3-5-17(6-4-16)18-7-9-19(10-8-18)26-15-20(23)21-11-13-22(14-12-21)27(2,24)25/h3-10H,11-15H2,1-2H3.
What are the key properties of 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 388.49 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 31686501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).