N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid

C121H147Cl2F14N9O30S4 — CID 159800473

About N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid

N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid (PubChem CID 159800473) has the molecular formula C121H147Cl2F14N9O30S4 and a molecular weight of 2672.69 g/mol. Its IUPAC name is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid.

Molecular Properties

• Compound Name: N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid
• PubChem CID: 159800473
• Molecular Formula: C121H147Cl2F14N9O30S4
• Molecular Weight: 2672.69 g/mol
• Exact Mass: 2669.83
• IUPAC Name: N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid
• SMILES: CC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCOC(=O)C(C)C(C)C.COc1cc(C(=O)CCC(O)(c2cc3c(c(Cl)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)O)ccc1OCCO
• InChI: InChI=1S/C38H46F4N2O8S.C32H36F4N2O7S.C26H32ClF3N2O7S.C15H21ClF3N3O3S.C10H12O5/c1-22(2)23(3)34(46)51-18-17-50-29-14-11-25(19-30(29)49-8)28(45)15-16-37(47,38(40,41)42)31-20-27-33(32(43-31)24-9-12-26(39)13-10-24)52-21-36(27,7)44-53(48)35(4,5)6;1-29(2,3)46(42)38-30(4)18-45-28-22(30)17-26(37-27(28)19-6-9-21(33)10-7-19)31(41,32(34,35)36)13-12-23(40)20-8-11-24(44-15-14-39)25(16-20)43-5;1-23(2,3)40(36)32-24(4)14-39-21-16(24)13-20(31-22(21)27)25(35,26(28,29)30)9-8-17(34)15-6-7-18(38-11-10-33)19(12-15)37-5;1-12(2,3)26(24)22-13(4)7-25-10-8(13)5-9(21-11(10)16)14(23,6-20)15(17,18)19;1-14-9-6-7(10(12)13)2-3-8(9)15-5-4-11/h9-14,19-20,22-23,44,47H,15-18,21H2,1-8H3;6-11,16-17,38-39,41H,12-15,18H2,1-5H3;6-7,12-13,32-33,35H,8-11,14H2,1-5H3;5,22-23H,6-7,20H2,1-4H3;2-3,6,11H,4-5H2,1H3,(H,12,13)
• InChIKey: NJSKVMGFYRUFMA-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 561.16 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 47
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2672.69
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid?

The IUPAC name of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid (CID 159800473) is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid.

What is the SMILES notation for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid?

The canonical SMILES for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid is CC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCOC(=O)C(C)C(C)C.COc1cc(C(=O)CCC(O)(c2cc3c(c(Cl)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)O)ccc1OCCO.

What is the InChIKey of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid?

The InChIKey is NJSKVMGFYRUFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46F4N2O8S.C32H36F4N2O7S.C26H32ClF3N2O7S.C15H21ClF3N3O3S.C10H12O5/c1-22(2)23(3)34(46)51-18-17-50-29-14-11-25(19-30(29)49-8)28(45)15-16-37(47,38(40,41)42)31-20-27-33(32(43-31)24-9-12-26(39)13-10-24)52-21-36(27,7)44-53(48)35(4,5)6;1-29(2,3)46(42)38-30(4)18-45-28-22(30)17-26(37-27(28)19-6-9-21(33)10-7-19)31(41,32(34,35)36)13-12-23(40)20-8-11-24(44-15-14-39)25(16-20)43-5;1-23(2,3)40(36)32-24(4)14-39-21-16(24)13-20(31-22(21)27)25(35,26(28,29)30)9-8-17(34)15-6-7-18(38-11-10-33)19(12-15)37-5;1-12(2,3)26(24)22-13(4)7-25-10-8(13)5-9(21-11(10)16)14(23,6-20)15(17,18)19;1-14-9-6-7(10(12)13)2-3-8(9)15-5-4-11/h9-14,19-20,22-23,44,47H,15-18,21H2,1-8H3;6-11,16-17,38-39,41H,12-15,18H2,1-5H3;6-7,12-13,32-33,35H,8-11,14H2,1-5H3;5,22-23H,6-7,20H2,1-4H3;2-3,6,11H,4-5H2,1H3,(H,12,13).

What are the key properties of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid?

N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid has a molecular weight of 2672.69 g/mol, XLogP of 19.58, 47 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-[4-[4-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2,3-dimethylbutanoate;N-[7-chloro-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;4-(2-hydroxyethoxy)-3-methoxybenzoic acid is sourced from PubChem (CID 159800473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).