[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C20H24N2O6S — CID 2092218

IUPAC[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)oc3C)CC2)cc1
InChIInChI=1S/C20H24N2O6S/c1-14-4-6-17(7-5-14)29(25,26)22-10-8-21(9-11-22)19(23)13-27-20(24)18-12-15(2)28-16(18)3/h4-7,12H,8-11,13H2,1-3H3
InChIKeyJUZYGBOMYRBACV-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.89
Rot. Bonds5

About [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2092218) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2092218
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)oc3C)CC2)cc1
InChIInChI=1S/C20H24N2O6S/c1-14-4-6-17(7-5-14)29(25,26)22-10-8-21(9-11-22)19(23)13-27-20(24)18-12-15(2)28-16(18)3/h4-7,12H,8-11,13H2,1-3H3
InChIKeyJUZYGBOMYRBACV-UHFFFAOYSA-N
XLogP1.89
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate 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-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2092218) is [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)oc3C)CC2)cc1.
What is the InChIKey of [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is JUZYGBOMYRBACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-14-4-6-17(7-5-14)29(25,26)22-10-8-21(9-11-22)19(23)13-27-20(24)18-12-15(2)28-16(18)3/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2092218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).