3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate)

C155H203F3N6O22S9-4 — CID 158428722

About 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate)

3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate) (PubChem CID 158428722) has the molecular formula C155H203F3N6O22S9-4 and a molecular weight of 2847.95 g/mol. Its IUPAC name is 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate).

Molecular Properties

• Compound Name: 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate)
• PubChem CID: 158428722
• Molecular Formula: C155H203F3N6O22S9-4
• Molecular Weight: 2847.95 g/mol
• Exact Mass: 2845.24
• IUPAC Name: 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate)
• SMILES: 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)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)NS(=O)(=O)c1ccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1.Cc1ccc(CCc2ccc(-c3ncco3)cc2C)cc1C.Cc1ccc(CCc2ccc(C(=O)C=CN)cc2)cc1.Cc1ccc(CCc2ccc(N3CCCC3=O)cc2)cc1.Cc1ccc(CCc2cccc(S(=O)(=O)NC(C)C)c2)cc1
• InChI: InChI=1S/C23H30O3S.C22H31NO4S2.C20H21NO.C19H22F3NO2S.C19H21NO.C18H23NO2S.C18H19NO.4C4H10O2S/c1-23(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;1-14-4-5-17(12-15(14)2)6-7-18-8-9-19(13-16(18)3)20-21-10-11-22-20;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;1-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)20-14-2-3-19(20)21;1-14(2)19-22(20,21)18-6-4-5-17(13-18)12-11-16-9-7-15(3)8-10-16;1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)18(20)12-13-19;4*1-4(2,3)7(5)6/h4-6,8-9,13-15,20H,7,10-12,16-17H2,1-3H3;8-15,17,23H,6-7,16H2,1-5H3;4-5,8-13H,6-7H2,1-3H3;4-7,9,11-12H,8,10,13H2,1-3H3;4-7,10-13H,2-3,8-9,14H2,1H3;4-10,13-14,19H,11-12H2,1-3H3;2-5,8-13H,6-7,19H2,1H3;4*1-3H3,(H,5,6)/p-4
• InChIKey: VGYIHPGFOQAUQR-UHFFFAOYSA-J
• XLogP: 31.96
• TPSA: 466.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2847.95
LogP ≤ 5	31.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate)?

The IUPAC name of 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate) (CID 158428722) is 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate).

What is the SMILES notation for 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate)?

The canonical SMILES for 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate) is 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)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)NS(=O)(=O)c1ccc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1.Cc1ccc(CCc2ccc(-c3ncco3)cc2C)cc1C.Cc1ccc(CCc2ccc(C(=O)C=CN)cc2)cc1.Cc1ccc(CCc2ccc(N3CCCC3=O)cc2)cc1.Cc1ccc(CCc2cccc(S(=O)(=O)NC(C)C)c2)cc1.

What is the InChIKey of 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate)?

The InChIKey is VGYIHPGFOQAUQR-UHFFFAOYSA-J. The full InChI is InChI=1S/C23H30O3S.C22H31NO4S2.C20H21NO.C19H22F3NO2S.C19H21NO.C18H23NO2S.C18H19NO.4C4H10O2S/c1-23(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;1-14-4-5-17(12-15(14)2)6-7-18-8-9-19(13-16(18)3)20-21-10-11-22-20;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;1-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)20-14-2-3-19(20)21;1-14(2)19-22(20,21)18-6-4-5-17(13-18)12-11-16-9-7-15(3)8-10-16;1-14-2-4-15(5-3-14)6-7-16-8-10-17(11-9-16)18(20)12-13-19;4*1-4(2,3)7(5)6/h4-6,8-9,13-15,20H,7,10-12,16-17H2,1-3H3;8-15,17,23H,6-7,16H2,1-5H3;4-5,8-13H,6-7H2,1-3H3;4-7,9,11-12H,8,10,13H2,1-3H3;4-7,10-13H,2-3,8-9,14H2,1H3;4-10,13-14,19H,11-12H2,1-3H3;2-5,8-13H,6-7,19H2,1H3;4*1-3H3,(H,5,6)/p-4.

What are the key properties of 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate)?

3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate) has a molecular weight of 2847.95 g/mol, XLogP of 31.96, 40 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[4-[2-(4-methylphenyl)ethyl]phenyl]prop-2-en-1-one;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-3-(cyclopropylmethoxy)benzene;4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;2-[4-[2-(3,4-dimethylphenyl)ethyl]-3-methylphenyl]-1,3-oxazole;1-[4-[2-(4-methylphenyl)ethyl]phenyl]pyrrolidin-2-one;3-[2-(4-methylphenyl)ethyl]-N-propan-2-ylbenzenesulfonamide;tetrakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 158428722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).