2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate)

C148H191F3NO16S7-3 — CID 157491444

About 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate)

2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate) (PubChem CID 157491444) has the molecular formula C148H191F3NO16S7-3 and a molecular weight of 2521.61 g/mol. Its IUPAC name is 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate).

Molecular Properties

• Compound Name: 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate)
• PubChem CID: 157491444
• Molecular Formula: C148H191F3NO16S7-3
• Molecular Weight: 2521.61 g/mol
• Exact Mass: 2519.22
• IUPAC Name: 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate)
• SMILES: CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCc1cc(CCc2ccc(C)cc2)ccc1OC1CCCC1.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.Cc1cc(-c2ccco2)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)c(C)c1.Cc1cc(-c2ncco2)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)c(C)c1.Cc1ccc(CCc2ccc(-c3cc(C)cs3)cc2C)cc1.Cc1ccc(CCc2ccc(OC3CCC(C)C3C)cc2)cc1
• InChI: InChI=1S/C25H30O3S.C24H29NO3S.C22H27F3O2S.2C22H28O.C21H22S.3C4H10O2S/c1-18-15-20(9-11-23(18)17-29(26,27)25(3,4)5)8-10-21-12-13-22(16-19(21)2)24-7-6-14-28-24;1-17-14-19(7-9-22(17)16-29(26,27)24(3,4)5)6-8-20-10-11-21(15-18(20)2)23-25-12-13-28-23;1-5-19-14-17(12-13-20(19)22(23,24)25)9-6-16-7-10-18(11-8-16)15-28(26,27)21(2,3)4;1-16-4-7-19(8-5-16)9-10-20-11-13-21(14-12-20)23-22-15-6-17(2)18(22)3;1-3-20-16-19(13-12-18-10-8-17(2)9-11-18)14-15-22(20)23-21-6-4-5-7-21;1-15-4-6-18(7-5-15)8-9-19-10-11-20(13-17(19)3)21-12-16(2)14-22-21;3*1-4(2,3)7(5)6/h6-7,9,11-16H,8,10,17H2,1-5H3;7,9-15H,6,8,16H2,1-5H3;7-8,10-14H,5-6,9,15H2,1-4H3;4-5,7-8,11-14,17-18,22H,6,9-10,15H2,1-3H3;8-11,14-16,21H,3-7,12-13H2,1-2H3;4-7,10-14H,8-9H2,1-3H3;3*1-3H3,(H,5,6)/p-3
• InChIKey: ZADAFNXVUKDIBV-UHFFFAOYSA-K
• XLogP: 36.66
• TPSA: 280.44 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 33
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2521.61
LogP ≤ 5	36.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate)?

The IUPAC name of 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate) (CID 157491444) is 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate).

What is the SMILES notation for 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate)?

The canonical SMILES for 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCc1cc(CCc2ccc(C)cc2)ccc1OC1CCCC1.CCc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F.Cc1cc(-c2ccco2)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)c(C)c1.Cc1cc(-c2ncco2)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)c(C)c1.Cc1ccc(CCc2ccc(-c3cc(C)cs3)cc2C)cc1.Cc1ccc(CCc2ccc(OC3CCC(C)C3C)cc2)cc1.

What is the InChIKey of 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate)?

The InChIKey is ZADAFNXVUKDIBV-UHFFFAOYSA-K. The full InChI is InChI=1S/C25H30O3S.C24H29NO3S.C22H27F3O2S.2C22H28O.C21H22S.3C4H10O2S/c1-18-15-20(9-11-23(18)17-29(26,27)25(3,4)5)8-10-21-12-13-22(16-19(21)2)24-7-6-14-28-24;1-17-14-19(7-9-22(17)16-29(26,27)24(3,4)5)6-8-20-10-11-21(15-18(20)2)23-25-12-13-28-23;1-5-19-14-17(12-13-20(19)22(23,24)25)9-6-16-7-10-18(11-8-16)15-28(26,27)21(2,3)4;1-16-4-7-19(8-5-16)9-10-20-11-13-21(14-12-20)23-22-15-6-17(2)18(22)3;1-3-20-16-19(13-12-18-10-8-17(2)9-11-18)14-15-22(20)23-21-6-4-5-7-21;1-15-4-6-18(7-5-15)8-9-19-10-11-20(13-17(19)3)21-12-16(2)14-22-21;3*1-4(2,3)7(5)6/h6-7,9,11-16H,8,10,17H2,1-5H3;7,9-15H,6,8,16H2,1-5H3;7-8,10-14H,5-6,9,15H2,1-4H3;4-5,7-8,11-14,17-18,22H,6,9-10,15H2,1-3H3;8-11,14-16,21H,3-7,12-13H2,1-2H3;4-7,10-14H,8-9H2,1-3H3;3*1-3H3,(H,5,6)/p-3.

What are the key properties of 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate)?

2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate) has a molecular weight of 2521.61 g/mol, XLogP of 36.66, 33 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]furan;2-[4-[2-[4-(tert-butylsulfonylmethyl)-3-methylphenyl]ethyl]-3-methylphenyl]-1,3-oxazole;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-ethyl-1-(trifluoromethyl)benzene;1-cyclopentyloxy-2-ethyl-4-[2-(4-methylphenyl)ethyl]benzene;1-(2,3-dimethylcyclopentyl)oxy-4-[2-(4-methylphenyl)ethyl]benzene;4-methyl-2-[3-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]thiophene;tris(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 157491444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).