[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate

C20H28N2O5S — CID 9202129

IUPAC[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C20H28N2O5S/c1-15-7-8-16(2)18(13-15)28(25,26)22-11-9-21(10-12-22)19(23)14-27-20(24)17-5-3-4-6-17/h7-8,13,17H,3-6,9-12,14H2,1-2H3
InChIKeyBJGDCPQKZGQLFA-UHFFFAOYSA-N
MW408.52 g/mol
LogP1.87
Rot. Bonds5

About [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate

[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 9202129) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate
PubChem CID9202129
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC Name[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C20H28N2O5S/c1-15-7-8-16(2)18(13-15)28(25,26)22-11-9-21(10-12-22)19(23)14-27-20(24)17-5-3-4-6-17/h7-8,13,17H,3-6,9-12,14H2,1-2H3
InChIKeyBJGDCPQKZGQLFA-UHFFFAOYSA-N
XLogP1.87
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 7979894
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9496224
[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate
CID 9016889
[2-(butan-2-ylamino)-2-oxoethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate
CID 42966871
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 11920150
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
[2-(1-methylpyrrol-2-yl)-2-oxoethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate
CID 42979859
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]ethanone
CID 9372548
1-(3,4-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 27514748
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate (CID 9202129) is [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)COC(=O)C3CCCC3)CC2)c1.
What is the InChIKey of [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is BJGDCPQKZGQLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S/c1-15-7-8-16(2)18(13-15)28(25,26)22-11-9-21(10-12-22)19(23)14-27-20(24)17-5-3-4-6-17/h7-8,13,17H,3-6,9-12,14H2,1-2H3.
What are the key properties of [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate?
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 408.52 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 9202129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).