5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline

C85H86F10N14O8S4 — CID 159363475

About 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline

5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline (PubChem CID 159363475) has the molecular formula C85H86F10N14O8S4 and a molecular weight of 1749.96 g/mol. Its IUPAC name is 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline
• PubChem CID: 159363475
• Molecular Formula: C85H86F10N14O8S4
• Molecular Weight: 1749.96 g/mol
• Exact Mass: 1748.55
• IUPAC Name: 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline
• SMILES: CCS(=O)(=O)c1ccc(N[C@@H](C)c2cccc(C(F)(F)F)c2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(C)(C)C)cn2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(Cc3ccccc3F)cn2)c1
• InChI: InChI=1S/C24H20F4N4O2S.C21H22F3N3O2S.C21H26N4O2S.C19H18F3N3O2S/c1-2-35(33,34)18-8-9-21(31-23-10-7-17(12-29-23)24(26,27)28)19(11-18)22-14-32(15-30-22)13-16-5-3-4-6-20(16)25;1-4-30(28,29)17-8-9-19(18(11-17)20-12-27(3)13-25-20)26-14(2)15-6-5-7-16(10-15)21(22,23)24;1-6-28(26,27)16-8-9-18(17(11-16)19-13-25(5)14-23-19)24-20-10-7-15(12-22-20)21(2,3)4;1-3-28(26,27)15-8-9-17(16(10-15)18-11-25(2)12-23-18)24-14-6-4-13(5-7-14)19(20,21)22/h3-12,14-15H,2,13H2,1H3,(H,29,31);5-14,26H,4H2,1-3H3;7-14H,6H2,1-5H3,(H,22,24);4-12,24H,3H2,1-2H3/t;14-;;/m.0../s1
• InChIKey: LIVCJVKXXUSNNC-IGTLABLOSA-N
• XLogP: 19.72
• TPSA: 281.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1749.96
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline?

The IUPAC name of 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline (CID 159363475) is 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline.

What is the SMILES notation for 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline?

The canonical SMILES for 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline is CCS(=O)(=O)c1ccc(N[C@@H](C)c2cccc(C(F)(F)F)c2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(C)(C)C)cn2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1.CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(Cc3ccccc3F)cn2)c1.

What is the InChIKey of 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline?

The InChIKey is LIVCJVKXXUSNNC-IGTLABLOSA-N. The full InChI is InChI=1S/C24H20F4N4O2S.C21H22F3N3O2S.C21H26N4O2S.C19H18F3N3O2S/c1-2-35(33,34)18-8-9-21(31-23-10-7-17(12-29-23)24(26,27)28)19(11-18)22-14-32(15-30-22)13-16-5-3-4-6-20(16)25;1-4-30(28,29)17-8-9-19(18(11-17)20-12-27(3)13-25-20)26-14(2)15-6-5-7-16(10-15)21(22,23)24;1-6-28(26,27)16-8-9-18(17(11-16)19-13-25(5)14-23-19)24-20-10-7-15(12-22-20)21(2,3)4;1-3-28(26,27)15-8-9-17(16(10-15)18-11-25(2)12-23-18)24-14-6-4-13(5-7-14)19(20,21)22/h3-12,14-15H,2,13H2,1H3,(H,29,31);5-14,26H,4H2,1-3H3;7-14H,6H2,1-5H3,(H,22,24);4-12,24H,3H2,1-2H3/t;14-;;/m.0../s1.

What are the key properties of 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline?

5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline has a molecular weight of 1749.96 g/mol, XLogP of 19.72, 23 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 159363475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).