5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C24H24N2O6S — CID 167564759

IUPAC5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)(C)c1ccccc1S(=O)(=O)Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H24N2O6S/c1-24(2,3)17-6-4-5-7-19(17)33(31,32)13-14-8-9-15-16(12-14)23(30)26(22(15)29)18-10-11-20(27)25-21(18)28/h4-9,12,18H,10-11,13H2,1-3H3,(H,25,27,28)
InChIKeyODCBQFGCEVFVLV-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.36
Rot. Bonds4

About 5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167564759) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is 5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167564759
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)(C)c1ccccc1S(=O)(=O)Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H24N2O6S/c1-24(2,3)17-6-4-5-7-19(17)33(31,32)13-14-8-9-15-16(12-14)23(30)26(22(15)29)18-10-11-20(27)25-21(18)28/h4-9,12,18H,10-11,13H2,1-3H3,(H,25,27,28)
InChIKeyODCBQFGCEVFVLV-UHFFFAOYSA-N
XLogP2.36
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-cyclopropylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167564757
2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 142761599
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl trifluoromethanesulfonate
CID 168872038
2-(2,6-dioxopiperidin-3-yl)-5-[[methyl(methylidene)-λ4-sulfanyl]methyl]isoindole-1,3-dione
CID 177161217
5-[[(4-amino-2-methylbutan-2-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167737722
4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167564759) is 5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC(C)(C)c1ccccc1S(=O)(=O)Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is ODCBQFGCEVFVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-24(2,3)17-6-4-5-7-19(17)33(31,32)13-14-8-9-15-16(12-14)23(30)26(22(15)29)18-10-11-20(27)25-21(18)28/h4-9,12,18H,10-11,13H2,1-3H3,(H,25,27,28).
What are the key properties of 5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 468.53 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167564759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).