4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one

C21H26N2O3S — CID 110420326

IUPAC4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-16-5-11-19(12-6-16)27(25,26)23-14-13-22-21(24)20(23)18-9-7-17(8-10-18)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyTTZXKRYFUROTLD-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.23
Rot. Bonds5

About 4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one

4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one (PubChem CID 110420326) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one
PubChem CID110420326
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-4-16-5-11-19(12-6-16)27(25,26)23-14-13-22-21(24)20(23)18-9-7-17(8-10-18)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyTTZXKRYFUROTLD-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437
3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
CID 110644656
3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
CID 110656947
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
CID 110420458
4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one
CID 110644815
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
4-(4-chlorophenyl)sulfonyl-3-propan-2-ylpiperazin-2-one
CID 110873370
4-(4-methoxy-3-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420093
4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
CID 110644637
4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656893
4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one
CID 63606437
4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one
CID 110419970

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one?
The IUPAC name of 4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one (CID 110420326) is 4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one?
The canonical SMILES for 4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one is CCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one?
The InChIKey is TTZXKRYFUROTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-16-5-11-19(12-6-16)27(25,26)23-14-13-22-21(24)20(23)18-9-7-17(8-10-18)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of 4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one?
4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one has a molecular weight of 386.52 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 110420326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).