1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione

C20H22N2O6S — CID 5337885

IUPAC1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)CCOc2ccccc2)CC(=O)N1CCOc1ccccc1
InChIInChI=1S/C20H22N2O6S/c23-19-15-21(29(25,26)14-13-28-18-9-5-2-6-10-18)16-20(24)22(19)11-12-27-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyFPASLRDJYSUWCZ-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.14
Rot. Bonds9

About 1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione

1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione (PubChem CID 5337885) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione
PubChem CID5337885
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)CCOc2ccccc2)CC(=O)N1CCOc1ccccc1
InChIInChI=1S/C20H22N2O6S/c23-19-15-21(29(25,26)14-13-28-18-9-5-2-6-10-18)16-20(24)22(19)11-12-27-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyFPASLRDJYSUWCZ-UHFFFAOYSA-N
XLogP1.14
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenoxyethyl)piperazine-2,6-dione
CID 66062056
3-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159649
1-benzhydryl-4-(2-phenoxyethylsulfonyl)piperazine
CID 90518198
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
4-[2-(3-aminophenoxy)ethylsulfonyl]piperazine-2,6-dione
CID 66085634
4-[2-(4-aminophenoxy)ethylsulfonyl]piperazine-2,6-dione
CID 66084276
1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
CID 110299928
2-phenoxyethanesulfonamide
CID 54595861
(5R)-7-(2-phenoxyethylsulfonyl)-2,7-diazaspiro[4.5]decane
CID 125438777
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyrimidine
CID 122341206
4-(2-phenoxyethylsulfonyl)-7-phenyl-1,4-thiazepane
CID 90629665

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione?
The IUPAC name of 1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione (CID 5337885) is 1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione.
What is the SMILES notation for 1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione?
The canonical SMILES for 1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione is O=C1CN(S(=O)(=O)CCOc2ccccc2)CC(=O)N1CCOc1ccccc1.
What is the InChIKey of 1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione?
The InChIKey is FPASLRDJYSUWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c23-19-15-21(29(25,26)14-13-28-18-9-5-2-6-10-18)16-20(24)22(19)11-12-27-17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione?
1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione has a molecular weight of 418.47 g/mol, XLogP of 1.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione is sourced from PubChem (CID 5337885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).