4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

C140H118N16O33S10 — CID 158638479

About 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (PubChem CID 158638479) has the molecular formula C140H118N16O33S10 and a molecular weight of 2873.23 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
• PubChem CID: 158638479
• Molecular Formula: C140H118N16O33S10
• Molecular Weight: 2873.23 g/mol
• Exact Mass: 2870.53
• IUPAC Name: 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
• SMILES: CC(C)c1ccc(C2C(=C(O)c3ccc(C(C)(C)C)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)C2c2ccc(C(C)C)cc2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)C2c2ccccc2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)C2c2ccn(C)n2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ncc(S(C)(=O)=O)s3)C2c2ccc(C(C)C)cc2)cc1
• InChI: InChI=1S/C33H31N3O7S2.C30H25N3O7S2.C27H19N3O7S2.C25H19N5O7S2.C25H24N2O5S2/c1-19(2)20-6-8-21(9-7-20)28-27(29(37)22-10-12-23(13-11-22)33(3,4)5)30(38)31(39)35(28)32-34-18-26(44-32)45(42,43)25-16-14-24(15-17-25)36(40)41;1-17(2)19-8-10-20(11-9-19)26-25(27(34)21-6-4-18(3)5-7-21)28(35)29(36)32(26)30-31-16-24(41-30)42(39,40)23-14-12-22(13-15-23)33(37)38;1-16-7-9-18(10-8-16)24(31)22-23(17-5-3-2-4-6-17)29(26(33)25(22)32)27-28-15-21(38-27)39(36,37)20-13-11-19(12-14-20)30(34)35;1-14-3-5-15(6-4-14)22(31)20-21(18-11-12-28(2)27-18)29(24(33)23(20)32)25-26-13-19(38-25)39(36,37)17-9-7-16(8-10-17)30(34)35;1-14(2)16-9-11-17(12-10-16)21-20(22(28)18-7-5-15(3)6-8-18)23(29)24(30)27(21)25-26-13-19(33-25)34(4,31)32/h6-19,28,37H,1-5H3;4-17,26,34H,1-3H3;2-15,23,31H,1H3;3-13,21,31H,1-2H3;5-14,21,28H,1-4H3
• InChIKey: WWOHKMJGCSKVAI-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 713.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 45
• Rotatable Bonds: 31
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2873.23
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

The IUPAC name of 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (CID 158638479) is 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.

What is the SMILES notation for 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

The canonical SMILES for 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is CC(C)c1ccc(C2C(=C(O)c3ccc(C(C)(C)C)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)C2c2ccc(C(C)C)cc2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)C2c2ccccc2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)C2c2ccn(C)n2)cc1.Cc1ccc(C(O)=C2C(=O)C(=O)N(c3ncc(S(C)(=O)=O)s3)C2c2ccc(C(C)C)cc2)cc1.

What is the InChIKey of 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

The InChIKey is WWOHKMJGCSKVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O7S2.C30H25N3O7S2.C27H19N3O7S2.C25H19N5O7S2.C25H24N2O5S2/c1-19(2)20-6-8-21(9-7-20)28-27(29(37)22-10-12-23(13-11-22)33(3,4)5)30(38)31(39)35(28)32-34-18-26(44-32)45(42,43)25-16-14-24(15-17-25)36(40)41;1-17(2)19-8-10-20(11-9-19)26-25(27(34)21-6-4-18(3)5-7-21)28(35)29(36)32(26)30-31-16-24(41-30)42(39,40)23-14-12-22(13-15-23)33(37)38;1-16-7-9-18(10-8-16)24(31)22-23(17-5-3-2-4-6-17)29(26(33)25(22)32)27-28-15-21(38-27)39(36,37)20-13-11-19(12-14-20)30(34)35;1-14-3-5-15(6-4-14)22(31)20-21(18-11-12-28(2)27-18)29(24(33)23(20)32)25-26-13-19(38-25)39(36,37)17-9-7-16(8-10-17)30(34)35;1-14(2)16-9-11-17(12-10-16)21-20(22(28)18-7-5-15(3)6-8-18)23(29)24(30)27(21)25-26-13-19(33-25)34(4,31)32/h6-19,28,37H,1-5H3;4-17,26,34H,1-3H3;2-15,23,31H,1H3;3-13,21,31H,1-2H3;5-14,21,28H,1-4H3.

What are the key properties of 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?

4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione has a molecular weight of 2873.23 g/mol, XLogP of 25.85, 31 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylpyrazol-3-yl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methylsulfonyl-1,3-thiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-phenylpyrrolidine-2,3-dione;4-[hydroxy-(4-methylphenyl)methylidene]-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 158638479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).