1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine

C132H167F3N4O19S8 — CID 160681409

IUPAC1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3ccno3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(C(F)(F)F)cn2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2cccc(OCC3CC3)c2)cc1.CC(C)NS(=O)(=O)c1ccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1.CC(C)NS(=O)(=O)c1cccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1.Cc1cc(-c2ccco2)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C24H28O3S.C23H30O3S.2C22H31NO4S2.C22H25NO3S.C19H22F3NO2S/c1-18-16-22(23-6-5-15-27-23)14-13-21(18)12-11-19-7-9-20(10-8-19)17-28(25,26)24(2,3)4;1-23(2,3)27(24,25)17-21-13-8-18(9-14-21)7-10-19-5-4-6-22(15-19)26-16-20-11-12-20;1-17(2)23-29(26,27)21-14-12-19(13-15-21)7-6-18-8-10-20(11-9-18)16-28(24,25)22(3,4)5;1-17(2)23-29(26,27)21-8-6-7-19(15-21)12-9-18-10-13-20(14-11-18)16-28(24,25)22(3,4)5;1-22(2,3)27(24,25)16-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21-14-15-23-26-21;1-18(2,3)26(24,25)13-15-6-4-14(5-7-15)8-10-17-11-9-16(12-23-17)19(20,21)22/h5-10,13-16H,11-12,17H2,1-4H3;4-6,8-9,13-15,20H,7,10-12,16-17H2,1-3H3;8-15,17,23H,6-7,16H2,1-5H3;6-8,10-11,13-15,17,23H,9,12,16H2,1-5H3;6-15H,4-5,16H2,1-3H3;4-7,9,11-12H,8,10,13H2,1-3H3
InChIKeyROERCJKEJUKHEZ-UHFFFAOYSA-N
MW2427.33 g/mol
LogP27.91
Rot. Bonds41

About 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine

1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine (PubChem CID 160681409) has the molecular formula C132H167F3N4O19S8 and a molecular weight of 2427.33 g/mol. Its IUPAC name is 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine
PubChem CID160681409
Molecular FormulaC132H167F3N4O19S8
Molecular Weight2427.33 g/mol
Exact Mass2424.99
IUPAC Name1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3ccno3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(C(F)(F)F)cn2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2cccc(OCC3CC3)c2)cc1.CC(C)NS(=O)(=O)c1ccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1.CC(C)NS(=O)(=O)c1cccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1.Cc1cc(-c2ccco2)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C24H28O3S.C23H30O3S.2C22H31NO4S2.C22H25NO3S.C19H22F3NO2S/c1-18-16-22(23-6-5-15-27-23)14-13-21(18)12-11-19-7-9-20(10-8-19)17-28(25,26)24(2,3)4;1-23(2,3)27(24,25)17-21-13-8-18(9-14-21)7-10-19-5-4-6-22(15-19)26-16-20-11-12-20;1-17(2)23-29(26,27)21-14-12-19(13-15-21)7-6-18-8-10-20(11-9-18)16-28(24,25)22(3,4)5;1-17(2)23-29(26,27)21-8-6-7-19(15-21)12-9-18-10-13-20(14-11-18)16-28(24,25)22(3,4)5;1-22(2,3)27(24,25)16-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21-14-15-23-26-21;1-18(2,3)26(24,25)13-15-6-4-14(5-7-15)8-10-17-11-9-16(12-23-17)19(20,21)22/h5-10,13-16H,11-12,17H2,1-4H3;4-6,8-9,13-15,20H,7,10-12,16-17H2,1-3H3;8-15,17,23H,6-7,16H2,1-5H3;6-8,10-11,13-15,17,23H,9,12,16H2,1-5H3;6-15H,4-5,16H2,1-3H3;4-7,9,11-12H,8,10,13H2,1-3H3
InChIKeyROERCJKEJUKHEZ-UHFFFAOYSA-N
XLogP27.91
TPSA358.47 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds41
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002427.33
LogP ≤ 527.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine (CID 160681409) is 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine is CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3ccno3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc(C(F)(F)F)cn2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2cccc(OCC3CC3)c2)cc1.CC(C)NS(=O)(=O)c1ccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1.CC(C)NS(=O)(=O)c1cccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)c1.Cc1cc(-c2ccco2)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine?
The InChIKey is ROERCJKEJUKHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3S.C23H30O3S.2C22H31NO4S2.C22H25NO3S.C19H22F3NO2S/c1-18-16-22(23-6-5-15-27-23)14-13-21(18)12-11-19-7-9-20(10-8-19)17-28(25,26)24(2,3)4;1-23(2,3)27(24,25)17-21-13-8-18(9-14-21)7-10-19-5-4-6-22(15-19)26-16-20-11-12-20;1-17(2)23-29(26,27)21-14-12-19(13-15-21)7-6-18-8-10-20(11-9-18)16-28(24,25)22(3,4)5;1-17(2)23-29(26,27)21-8-6-7-19(15-21)12-9-18-10-13-20(14-11-18)16-28(24,25)22(3,4)5;1-22(2,3)27(24,25)16-19-8-6-17(7-9-19)4-5-18-10-12-20(13-11-18)21-14-15-23-26-21;1-18(2,3)26(24,25)13-15-6-4-14(5-7-15)8-10-17-11-9-16(12-23-17)19(20,21)22/h5-10,13-16H,11-12,17H2,1-4H3;4-6,8-9,13-15,20H,7,10-12,16-17H2,1-3H3;8-15,17,23H,6-7,16H2,1-5H3;6-8,10-11,13-15,17,23H,9,12,16H2,1-5H3;6-15H,4-5,16H2,1-3H3;4-7,9,11-12H,8,10,13H2,1-3H3.
What are the key properties of 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine?
1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine has a molecular weight of 2427.33 g/mol, XLogP of 27.91, 41 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;2-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-methylphenyl]furan;5-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 160681409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).