1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone

C24H30N2O4S2 — CID 24683506

IUPAC1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O4S2/c1-18(27)19-5-11-22(12-6-19)32(29,30)26-15-13-25(14-16-26)23(28)17-31-21-9-7-20(8-10-21)24(2,3)4/h5-12H,13-17H2,1-4H3
InChIKeyORLNIQVVWIJYDT-UHFFFAOYSA-N
MW474.65 g/mol
LogP3.81
Rot. Bonds6

About 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone (PubChem CID 24683506) has the molecular formula C24H30N2O4S2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone
PubChem CID24683506
Molecular FormulaC24H30N2O4S2
Molecular Weight474.65 g/mol
Exact Mass474.16
IUPAC Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O4S2/c1-18(27)19-5-11-22(12-6-19)32(29,30)26-15-13-25(14-16-26)23(28)17-31-21-9-7-20(8-10-21)24(2,3)4/h5-12H,13-17H2,1-4H3
InChIKeyORLNIQVVWIJYDT-UHFFFAOYSA-N
XLogP3.81
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone with MolForge

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Related Compounds

N-[4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 27783595
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
CID 119269185
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 31794014
[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea
CID 9220162
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
CID 119685697
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
CID 41081879
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-4-methoxybutan-1-one
CID 55757653
trans-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230396
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665639
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,2,2-trifluoroethanone
CID 108567599
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 7899574
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-tert-butylphenyl)sulfanylethanone
CID 78848630

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone (CID 24683506) is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone?
The InChIKey is ORLNIQVVWIJYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S2/c1-18(27)19-5-11-22(12-6-19)32(29,30)26-15-13-25(14-16-26)23(28)17-31-21-9-7-20(8-10-21)24(2,3)4/h5-12H,13-17H2,1-4H3.
What are the key properties of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone?
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone has a molecular weight of 474.65 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone is sourced from PubChem (CID 24683506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).