1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide

C127H166F6N4O15S7 — CID 159251088

About 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide

1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 159251088) has the molecular formula C127H166F6N4O15S7 and a molecular weight of 2327.19 g/mol. Its IUPAC name is 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

• Compound Name: 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide
• PubChem CID: 159251088
• Molecular Formula: C127H166F6N4O15S7
• Molecular Weight: 2327.19 g/mol
• Exact Mass: 2325.03
• IUPAC Name: 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide
• SMILES: CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3cccs3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3ncco3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(OC3CCCC3)cc2)cc1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cn2)CC1.O=S1(=O)CCCN1C1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.O=S1(=O)CCCN1C1CCC(CCc2ccc(OC3CCCC3)cc2)CC1
• InChI: InChI=1S/C24H32O3S.C23H26O2S2.C22H33NO3S.C22H25NO3S.C18H24F3NO2S.C18H26F3NO2S/c1-24(2,3)28(25,26)18-21-12-10-19(11-13-21)8-9-20-14-16-23(17-15-20)27-22-6-4-5-7-22;1-23(2,3)27(24,25)17-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)22-5-4-16-26-22;24-27(25)17-3-16-23(27)20-12-8-18(9-13-20)6-7-19-10-14-22(15-11-19)26-21-4-1-2-5-21;1-22(2,3)27(24,25)16-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21-23-14-15-26-21;19-18(20,21)16-8-4-14(5-9-16)2-3-15-6-10-17(11-7-15)22-12-1-13-25(22,23)24;1-13(2)25(23,24)12-15-5-3-14(4-6-15)7-9-17-10-8-16(11-22-17)18(19,20)21/h10-17,22H,4-9,18H2,1-3H3;4-5,8-16H,6-7,17H2,1-3H3;10-11,14-15,18,20-21H,1-9,12-13,16-17H2;6-15H,4-5,16H2,1-3H3;4-5,8-9,15,17H,1-3,6-7,10-13H2;8,10-11,13-15H,3-7,9,12H2,1-2H3
• InChIKey: KVHPAWFJTBCNRF-UHFFFAOYSA-N
• XLogP: 29.69
• TPSA: 268.70 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 35
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2327.19
LogP ≤ 5	29.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide?

The IUPAC name of 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide (CID 159251088) is 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide.

What is the SMILES notation for 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide?

The canonical SMILES for 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide is CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3cccs3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3ncco3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(OC3CCCC3)cc2)cc1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cn2)CC1.O=S1(=O)CCCN1C1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.O=S1(=O)CCCN1C1CCC(CCc2ccc(OC3CCCC3)cc2)CC1.

What is the InChIKey of 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide?

The InChIKey is KVHPAWFJTBCNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3S.C23H26O2S2.C22H33NO3S.C22H25NO3S.C18H24F3NO2S.C18H26F3NO2S/c1-24(2,3)28(25,26)18-21-12-10-19(11-13-21)8-9-20-14-16-23(17-15-20)27-22-6-4-5-7-22;1-23(2,3)27(24,25)17-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)22-5-4-16-26-22;24-27(25)17-3-16-23(27)20-12-8-18(9-13-20)6-7-19-10-14-22(15-11-19)26-21-4-1-2-5-21;1-22(2,3)27(24,25)16-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21-23-14-15-26-21;19-18(20,21)16-8-4-14(5-9-16)2-3-15-6-10-17(11-7-15)22-12-1-13-25(22,23)24;1-13(2)25(23,24)12-15-5-3-14(4-6-15)7-9-17-10-8-16(11-22-17)18(19,20)21/h10-17,22H,4-9,18H2,1-3H3;4-5,8-16H,6-7,17H2,1-3H3;10-11,14-15,18,20-21H,1-9,12-13,16-17H2;6-15H,4-5,16H2,1-3H3;4-5,8-9,15,17H,1-3,6-7,10-13H2;8,10-11,13-15H,3-7,9,12H2,1-2H3.

What are the key properties of 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide?

1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 2327.19 g/mol, XLogP of 29.69, 35 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(tert-butylsulfonylmethyl)-4-[2-(4-cyclopentyloxyphenyl)ethyl]benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,3-oxazole;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]thiophene;2-[4-[2-(4-cyclopentyloxyphenyl)ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide;2-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 159251088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).