1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone

C20H24N2O4S — CID 9337786

IUPAC1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-17(23)18-7-9-20(10-8-18)27(24,25)22-13-11-21(12-14-22)15-16-26-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyDDMVWLIKZPWFSU-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.27
Rot. Bonds7

About 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone (PubChem CID 9337786) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone
PubChem CID9337786
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-17(23)18-7-9-20(10-8-18)27(24,25)22-13-11-21(12-14-22)15-16-26-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyDDMVWLIKZPWFSU-UHFFFAOYSA-N
XLogP2.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]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 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone (CID 9337786) is 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is DDMVWLIKZPWFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-17(23)18-7-9-20(10-8-18)27(24,25)22-13-11-21(12-14-22)15-16-26-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3.
What are the key properties of 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone?
1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 388.49 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 9337786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).