[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate

C19H26N2O5S — CID 8019211

IUPAC[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CCC3)CC2)c(C)c1
InChIInChI=1S/C19H26N2O5S/c1-14-6-7-17(15(2)12-14)27(24,25)21-10-8-20(9-11-21)18(22)13-26-19(23)16-4-3-5-16/h6-7,12,16H,3-5,8-11,13H2,1-2H3
InChIKeyFEXJUJMTCWTGMM-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.48
Rot. Bonds5

About [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate

[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 8019211) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID8019211
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CCC3)CC2)c(C)c1
InChIInChI=1S/C19H26N2O5S/c1-14-6-7-17(15(2)12-14)27(24,25)21-10-8-20(9-11-21)18(22)13-26-19(23)16-4-3-5-16/h6-7,12,16H,3-5,8-11,13H2,1-2H3
InChIKeyFEXJUJMTCWTGMM-UHFFFAOYSA-N
XLogP1.48
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717281
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
CID 25163753
[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
CID 8160637
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 4858681
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-phenylsulfanylacetate
CID 16285015
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-phenylbutanoate
CID 25162113
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 25162561
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-phenylacetate
CID 16280922
Oxolan-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 16286384
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 25162523
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 25162548
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 25162321

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate (CID 8019211) is [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate is Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CCC3)CC2)c(C)c1.
What is the InChIKey of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is FEXJUJMTCWTGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-14-6-7-17(15(2)12-14)27(24,25)21-10-8-20(9-11-21)18(22)13-26-19(23)16-4-3-5-16/h6-7,12,16H,3-5,8-11,13H2,1-2H3.
What are the key properties of [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate?
[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 394.49 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 8019211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).