(3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione

C25H29N3O5S — CID 2484119

IUPAC(3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESCC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)C2=O)cc1
InChIInChI=1S/C25H29N3O5S/c1-16-13-17(2)24(18(3)14-16)34(32,33)27-11-9-26(10-12-27)22-15-23(30)28(25(22)31)21-7-5-20(6-8-21)19(4)29/h5-8,13-14,22H,9-12,15H2,1-4H3/t22-/m1/s1
InChIKeySVQCBFUPVAJVJF-JOCHJYFZSA-N
MW483.59 g/mol
LogP2.45
Rot. Bonds5

About (3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione

(3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2484119) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is (3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2484119
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name(3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESCC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)C2=O)cc1
InChIInChI=1S/C25H29N3O5S/c1-16-13-17(2)24(18(3)14-16)34(32,33)27-11-9-26(10-12-27)22-15-23(30)28(25(22)31)21-7-5-20(6-8-21)19(4)29/h5-8,13-14,22H,9-12,15H2,1-4H3/t22-/m1/s1
InChIKeySVQCBFUPVAJVJF-JOCHJYFZSA-N
XLogP2.45
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 2484111
(3S)-1-(2,6-dimethylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2110216
(3S)-1-(4-chlorophenyl)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 25346833
(3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 99935790
(3R)-1-(4-acetylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1238469
(3R)-1-(3,4-dichlorophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2085480
(3S)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 99935783
(3S)-1-(3,5-dimethylphenyl)-3-[4-[(3S)-1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 978676
(3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2108600
(3R)-3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2107813
4-[(3R)-3-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 51637766
(3S)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 99935808

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione (CID 2484119) is (3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione is CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is SVQCBFUPVAJVJF-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-16-13-17(2)24(18(3)14-16)34(32,33)27-11-9-26(10-12-27)22-15-23(30)28(25(22)31)21-7-5-20(6-8-21)19(4)29/h5-8,13-14,22H,9-12,15H2,1-4H3/t22-/m1/s1.
What are the key properties of (3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 483.59 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2484119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).