5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one

C143H149N7O28S8 — CID 157358600

About 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one

5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 157358600) has the molecular formula C143H149N7O28S8 and a molecular weight of 2670.32 g/mol. Its IUPAC name is 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
• PubChem CID: 157358600
• Molecular Formula: C143H149N7O28S8
• Molecular Weight: 2670.32 g/mol
• Exact Mass: 2667.82
• IUPAC Name: 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
• SMILES: CC(=O)CCCCOc1cc(C)c(-c2cccc(COc3ccc(C4=CC(=O)NS4=O)cc3)c2)c(C)c1.CC(=O)CCCCOc1ccc(-c2cccc(COc3ccc(C4=CC(=O)NS4=O)cc3)c2C)c(C)n1.Cc1cc(-c2cccc(COc3ccc(C4=CC(=O)NS4=O)cc3)c2)c(C)cc1OCCCS(C)(=O)=O.Cc1cc(-c2cccc(COc3ccc(C4=CC(=O)NS4=O)cc3)c2)c(C)nc1OCCCS(C)(=O)=O.Cc1cc(OCCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1
• InChI: InChI=1S/C30H31NO5S.C29H30N2O5S.C29H31NO6S2.C28H29NO6S2.C27H28N2O6S2/c1-20-15-27(35-14-5-4-7-22(3)32)16-21(2)30(20)25-9-6-8-23(17-25)19-36-26-12-10-24(11-13-26)28-18-29(33)31-37(28)34;1-19(32)7-4-5-16-35-29-15-14-26(21(3)30-29)25-9-6-8-23(20(25)2)18-36-24-12-10-22(11-13-24)27-17-28(33)31-37(27)34;1-20-15-26(35-13-4-5-14-38(3,33)34)16-21(2)29(20)24-8-6-7-22(17-24)19-36-25-11-9-23(10-12-25)27-18-28(31)30-37(27)32;1-19-15-26(34-12-5-13-37(3,32)33)20(2)14-25(19)23-7-4-6-21(16-23)18-35-24-10-8-22(9-11-24)27-17-28(30)29-36(27)31;1-18-14-24(19(2)28-27(18)34-12-5-13-37(3,32)33)22-7-4-6-20(15-22)17-35-23-10-8-21(9-11-23)25-16-26(30)29-36(25)31/h6,8-13,15-18H,4-5,7,14,19H2,1-3H3,(H,31,33);6,8-15,17H,4-5,7,16,18H2,1-3H3,(H,31,33);6-12,15-18H,4-5,13-14,19H2,1-3H3,(H,30,31);4,6-11,14-17H,5,12-13,18H2,1-3H3,(H,29,30);4,6-11,14-16H,5,12-13,17H2,1-3H3,(H,29,30)
• InChIKey: BIJJKNHBJPTOGV-UHFFFAOYSA-N
• XLogP: 24.32
• TPSA: 485.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 53
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2670.32
LogP ≤ 5	24.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The IUPAC name of 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 157358600) is 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one.

What is the SMILES notation for 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The canonical SMILES for 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one is CC(=O)CCCCOc1cc(C)c(-c2cccc(COc3ccc(C4=CC(=O)NS4=O)cc3)c2)c(C)c1.CC(=O)CCCCOc1ccc(-c2cccc(COc3ccc(C4=CC(=O)NS4=O)cc3)c2C)c(C)n1.Cc1cc(-c2cccc(COc3ccc(C4=CC(=O)NS4=O)cc3)c2)c(C)cc1OCCCS(C)(=O)=O.Cc1cc(-c2cccc(COc3ccc(C4=CC(=O)NS4=O)cc3)c2)c(C)nc1OCCCS(C)(=O)=O.Cc1cc(OCCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(C3=CC(=O)NS3=O)cc2)c1.

What is the InChIKey of 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?

The InChIKey is BIJJKNHBJPTOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO5S.C29H30N2O5S.C29H31NO6S2.C28H29NO6S2.C27H28N2O6S2/c1-20-15-27(35-14-5-4-7-22(3)32)16-21(2)30(20)25-9-6-8-23(17-25)19-36-26-12-10-24(11-13-26)28-18-29(33)31-37(28)34;1-19(32)7-4-5-16-35-29-15-14-26(21(3)30-29)25-9-6-8-23(20(25)2)18-36-24-12-10-22(11-13-24)27-17-28(33)31-37(27)34;1-20-15-26(35-13-4-5-14-38(3,33)34)16-21(2)29(20)24-8-6-7-22(17-24)19-36-25-11-9-23(10-12-25)27-18-28(31)30-37(27)32;1-19-15-26(34-12-5-13-37(3,32)33)20(2)14-25(19)23-7-4-6-21(16-23)18-35-24-10-8-22(9-11-24)27-17-28(30)29-36(27)31;1-18-14-24(19(2)28-27(18)34-12-5-13-37(3,32)33)22-7-4-6-20(15-22)17-35-23-10-8-21(9-11-23)25-16-26(30)29-36(25)31/h6,8-13,15-18H,4-5,7,14,19H2,1-3H3,(H,31,33);6,8-15,17H,4-5,7,16,18H2,1-3H3,(H,31,33);6-12,15-18H,4-5,13-14,19H2,1-3H3,(H,30,31);4,6-11,14-17H,5,12-13,18H2,1-3H3,(H,29,30);4,6-11,14-16H,5,12-13,17H2,1-3H3,(H,29,30).

What are the key properties of 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?

5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 2670.32 g/mol, XLogP of 24.32, 53 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[3-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,5-dimethyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[2,6-dimethyl-4-(5-oxohexoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[2-methyl-3-[2-methyl-6-(5-oxohexoxy)-3-pyridinyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 157358600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).