1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine

C23H32N2O2S — CID 6737016

IUPAC1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N2O2S/c1-5-23(3,4)21-11-13-22(14-12-21)28(26,27)25-17-15-24(16-18-25)19(2)20-9-7-6-8-10-20/h6-14,19H,5,15-18H2,1-4H3
InChIKeyTZNXIEWFEPUGND-UHFFFAOYSA-N
MW400.59 g/mol
LogP4.44
Rot. Bonds6

About 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine

1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine (PubChem CID 6737016) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine.

Molecular Properties

Compound Name1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine
PubChem CID6737016
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC Name1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N2O2S/c1-5-23(3,4)21-11-13-22(14-12-21)28(26,27)25-17-15-24(16-18-25)19(2)20-9-7-6-8-10-20/h6-14,19H,5,15-18H2,1-4H3
InChIKeyTZNXIEWFEPUGND-UHFFFAOYSA-N
XLogP4.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093294
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587
1-(1-phenylethyl)-4-propylsulfonylpiperazine
CID 113074030
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(1-phenylethyl)piperazine
CID 113074042
1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-pyridin-4-ylpiperazine
CID 23962019
1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 42998415
1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
CID 95760565
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2920869
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 74628799
1,3-bis-(4-methylphenyl)sulfonyl-5-[(1R)-1-phenylethyl]-1,3,5-triazinane
CID 155931567
1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 51966767

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine?
The IUPAC name of 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine (CID 6737016) is 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine.
What is the SMILES notation for 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine?
The canonical SMILES for 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine is CCC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine?
The InChIKey is TZNXIEWFEPUGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-5-23(3,4)21-11-13-22(14-12-21)28(26,27)25-17-15-24(16-18-25)19(2)20-9-7-6-8-10-20/h6-14,19H,5,15-18H2,1-4H3.
What are the key properties of 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine?
1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine has a molecular weight of 400.59 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-(1-phenylethyl)piperazine is sourced from PubChem (CID 6737016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).