5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine

C26H28N2O2S2 — CID 132515431

IUPAC5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccc(C(C)(C)C)cc3)S/C2=N\c2ccccc2)cc1
InChIInChI=1S/C26H28N2O2S2/c1-19-10-16-23(17-11-19)32(29,30)28-18-24(20-12-14-21(15-13-20)26(2,3)4)31-25(28)27-22-8-6-5-7-9-22/h5-17,24H,18H2,1-4H3/b27-25-
InChIKeyDKMGRUYLQZTXOK-RFBIWTDZSA-N
MW464.66 g/mol
LogP6.46
Rot. Bonds4

About 5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine

5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine (PubChem CID 132515431) has the molecular formula C26H28N2O2S2 and a molecular weight of 464.66 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine
PubChem CID132515431
Molecular FormulaC26H28N2O2S2
Molecular Weight464.66 g/mol
Exact Mass464.16
IUPAC Name5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccc(C(C)(C)C)cc3)S/C2=N\c2ccccc2)cc1
InChIInChI=1S/C26H28N2O2S2/c1-19-10-16-23(17-11-19)32(29,30)28-18-24(20-12-14-21(15-13-20)26(2,3)4)31-25(28)27-22-8-6-5-7-9-22/h5-17,24H,18H2,1-4H3/b27-25-
InChIKeyDKMGRUYLQZTXOK-RFBIWTDZSA-N
XLogP6.46
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.66
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-(4-methylphenyl)-3-phenyl-2-phenylimino-1,3-thiazinan-4-one
CID 27506150
(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimino-1,3-thiazolidine-4-thione
CID 7731083
3-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 132966939
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
1-(benzenesulfonyl)-3-(4-tert-butylphenyl)-4-methyl-2,3-dihydropyrrole
CID 54671663
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
5-(bromomethyl)-6-(4-tert-butylphenyl)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 91970631
2-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenylacetonitrile
CID 22842832
4-(4-tert-butylphenyl)-1,3-bis-(4-methylphenyl)sulfonyl-1,3-diazinane
CID 164682665
(2R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 96538065
1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole
CID 101391819
2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4127444

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of 5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine (CID 132515431) is 5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine is Cc1ccc(S(=O)(=O)N2CC(c3ccc(C(C)(C)C)cc3)S/C2=N\c2ccccc2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is DKMGRUYLQZTXOK-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H28N2O2S2/c1-19-10-16-23(17-11-19)32(29,30)28-18-24(20-12-14-21(15-13-20)26(2,3)4)31-25(28)27-22-8-6-5-7-9-22/h5-17,24H,18H2,1-4H3/b27-25-.
What are the key properties of 5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine?
5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 464.66 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-(4-methylphenyl)sulfonyl-N-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 132515431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).