N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

C102H128Cl3F13N10O20S4 — CID 160733333

About N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 160733333) has the molecular formula C102H128Cl3F13N10O20S4 and a molecular weight of 2295.80 g/mol. Its IUPAC name is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 160733333
• Molecular Formula: C102H128Cl3F13N10O20S4
• Molecular Weight: 2295.80 g/mol
• Exact Mass: 2292.70
• IUPAC Name: N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• SMILES: C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CCC(=O)c1ccc(OCCC)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CCC(=O)c1ccc(OCCC)c(OC)c1)C(F)(F)F)nc2Cl.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc2Cl
• InChI: InChI=1S/C36H42F4N2O6S.C30H38ClF3N2O6S.C18H23ClF3N3O5S.C18H25ClF3N3O3S/c1-7-9-17-34(42-49(45)33(3,4)5)22-48-32-26(34)21-30(41-31(32)23-10-13-25(37)14-11-23)35(44,36(38,39)40)18-16-27(43)24-12-15-28(47-19-8-2)29(20-24)46-6;1-7-9-13-28(36-43(39)27(3,4)5)18-42-25-20(28)17-24(35-26(25)31)29(38,30(32,33)34)14-12-21(37)19-10-11-22(41-15-8-2)23(16-19)40-6;1-5-6-7-16(24-31(29)15(2,3)4)10-30-13-11(16)8-12(23-14(13)19)17(26,9-25(27)28)18(20,21)22;1-5-6-7-16(25-29(27)15(2,3)4)10-28-13-11(16)8-12(24-14(13)19)17(26,9-23)18(20,21)22/h7,10-15,20-21,42,44H,1,8-9,16-19,22H2,2-6H3;7,10-11,16-17,36,38H,1,8-9,12-15,18H2,2-6H3;5,8,24,26H,1,6-7,9-10H2,2-4H3;5,8,25-26H,1,6-7,9-10,23H2,2-4H3
• InChIKey: RUQAKVUWBOHKLV-UHFFFAOYSA-N
• XLogP: 20.67
• TPSA: 426.02 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 44
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.80
LogP ≤ 5	20.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 160733333) is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CCC(=O)c1ccc(OCCC)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CCC(=O)c1ccc(OCCC)c(OC)c1)C(F)(F)F)nc2Cl.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc2Cl.

What is the InChIKey of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is RUQAKVUWBOHKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42F4N2O6S.C30H38ClF3N2O6S.C18H23ClF3N3O5S.C18H25ClF3N3O3S/c1-7-9-17-34(42-49(45)33(3,4)5)22-48-32-26(34)21-30(41-31(32)23-10-13-25(37)14-11-23)35(44,36(38,39)40)18-16-27(43)24-12-15-28(47-19-8-2)29(20-24)46-6;1-7-9-13-28(36-43(39)27(3,4)5)18-42-25-20(28)17-24(35-26(25)31)29(38,30(32,33)34)14-12-21(37)19-10-11-22(41-15-8-2)23(16-19)40-6;1-5-6-7-16(24-31(29)15(2,3)4)10-30-13-11(16)8-12(23-14(13)19)17(26,9-25(27)28)18(20,21)22;1-5-6-7-16(25-29(27)15(2,3)4)10-28-13-11(16)8-12(24-14(13)19)17(26,9-23)18(20,21)22/h7,10-15,20-21,42,44H,1,8-9,16-19,22H2,2-6H3;7,10-11,16-17,36,38H,1,8-9,12-15,18H2,2-6H3;5,8,24,26H,1,6-7,9-10H2,2-4H3;5,8,25-26H,1,6-7,9-10,23H2,2-4H3.

What are the key properties of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 2295.80 g/mol, XLogP of 20.67, 44 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 160733333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).