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

C26H33N3O4S — CID 2108600

IUPAC(3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4c(C)cccc4C)C3=O)CC2)c1C
InChIInChI=1S/C26H33N3O4S/c1-16-8-7-9-17(2)24(16)29-23(30)15-22(26(29)31)27-10-12-28(13-11-27)34(32,33)25-20(5)18(3)14-19(4)21(25)6/h7-9,14,22H,10-13,15H2,1-6H3/t22-/m1/s1
InChIKeyZPIZXWOWIRTYKR-JOCHJYFZSA-N
MW483.63 g/mol
LogP3.18
Rot. Bonds4

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

(3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2108600) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is (3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2108600
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name(3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4c(C)cccc4C)C3=O)CC2)c1C
InChIInChI=1S/C26H33N3O4S/c1-16-8-7-9-17(2)24(16)29-23(30)15-22(26(29)31)27-10-12-28(13-11-27)34(32,33)25-20(5)18(3)14-19(4)21(25)6/h7-9,14,22H,10-13,15H2,1-6H3/t22-/m1/s1
InChIKeyZPIZXWOWIRTYKR-JOCHJYFZSA-N
XLogP3.18
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2,6-dimethylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2110216
(3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2689028
(3S)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2095768
(3S)-1-(2,6-dimethylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2652727
(3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2484119
(3S)-1-(4-chlorophenyl)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 25346833
(3R)-3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2107813
(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 2492195
(3R)-3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-chloro-2-methoxy-5-methylphenyl)pyrrolidine-2,5-dione
CID 2419259
(3R)-1-(3,4-dichlorophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2085480
1-[1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 42891823
(3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2085222

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione (CID 2108600) is (3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4c(C)cccc4C)C3=O)CC2)c1C.
What is the InChIKey of (3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is ZPIZXWOWIRTYKR-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-16-8-7-9-17(2)24(16)29-23(30)15-22(26(29)31)27-10-12-28(13-11-27)34(32,33)25-20(5)18(3)14-19(4)21(25)6/h7-9,14,22H,10-13,15H2,1-6H3/t22-/m1/s1.
What are the key properties of (3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 483.63 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,6-dimethylphenyl)-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2108600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).