N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

C₁₂₃H₁₂₃F₁₃N₁₀O₁₇S₄ — CID 158510884

About N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-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)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 158510884) has the molecular formula C₁₂₃H₁₂₃F₁₃N₁₀O₁₇S₄ and a molecular weight of 2388.63 g/mol. Its IUPAC name is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-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)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 158510884
• Molecular Formula: C₁₂₃H₁₂₃F₁₃N₁₀O₁₇S₄
• Molecular Weight: 2388.63 g/mol
• Exact Mass: 2386.77
• IUPAC Name: N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(=O)C(F)(F)F)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc2-c1ccc(F)cc1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(/C=C/c2ccccc2)NS(=O)C(C)(C)C)ccc1OC1CC1
• InChI: InChI=1S/C40H43FN2O6S.C28H27F4N3O5S.C28H29F4N3O3S.C27H24F4N2O3S/c1-38(2,3)50(46)43-40(22-19-26-9-7-6-8-10-26)25-48-37-31(40)24-35(42-36(37)27-11-14-29(41)15-12-27)39(4,45)21-20-32(44)28-13-18-33(34(23-28)47-5)49-30-16-17-30;1-25(2,3)41(39)34-26(14-13-18-7-5-4-6-8-18)17-40-24-21(26)15-22(27(36,16-35(37)38)28(30,31)32)33-23(24)19-9-11-20(29)12-10-19;1-25(2,3)39(37)35-26(14-13-18-7-5-4-6-8-18)17-38-24-21(26)15-22(27(36,16-33)28(30,31)32)34-23(24)19-9-11-20(29)12-10-19;1-25(2,3)37(35)33-26(14-13-17-7-5-4-6-8-17)16-36-23-20(26)15-21(24(34)27(29,30)31)32-22(23)18-9-11-19(28)12-10-18/h6-15,18-19,22-24,30,43,45H,16-17,20-21,25H2,1-5H3;4-15,34,36H,16-17H2,1-3H3;4-15,35-36H,16-17,33H2,1-3H3;4-15,33H,16H2,1-3H3/b22-19+;3*14-13+
• InChIKey: HLAOVXXKXVSQEM-SUXLTGTISA-N
• XLogP: 23.86
• TPSA: 387.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 34
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2388.63
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'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)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-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)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 158510884) is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-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)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-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)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(=O)C(F)(F)F)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc2-c1ccc(F)cc1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(/C=C/c2ccccc2)NS(=O)C(C)(C)C)ccc1OC1CC1.

What is the InChIKey of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is HLAOVXXKXVSQEM-SUXLTGTISA-N. The full InChI is InChI=1S/C40H43FN2O6S.C28H27F4N3O5S.C28H29F4N3O3S.C27H24F4N2O3S/c1-38(2,3)50(46)43-40(22-19-26-9-7-6-8-10-26)25-48-37-31(40)24-35(42-36(37)27-11-14-29(41)15-12-27)39(4,45)21-20-32(44)28-13-18-33(34(23-28)47-5)49-30-16-17-30;1-25(2,3)41(39)34-26(14-13-18-7-5-4-6-8-18)17-40-24-21(26)15-22(27(36,16-35(37)38)28(30,31)32)33-23(24)19-9-11-20(29)12-10-19;1-25(2,3)39(37)35-26(14-13-18-7-5-4-6-8-18)17-38-24-21(26)15-22(27(36,16-33)28(30,31)32)34-23(24)19-9-11-20(29)12-10-19;1-25(2,3)37(35)33-26(14-13-17-7-5-4-6-8-17)16-36-23-20(26)15-21(24(34)27(29,30)31)32-22(23)18-9-11-19(28)12-10-18/h6-15,18-19,22-24,30,43,45H,16-17,20-21,25H2,1-5H3;4-15,34,36H,16-17H2,1-3H3;4-15,35-36H,16-17,33H2,1-3H3;4-15,33H,16H2,1-3H3/b22-19+;3*14-13+.

What are the key properties of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-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)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 2388.63 g/mol, XLogP of 23.86, 34 rotatable bonds, 8 hydrogen bond donors, and 22 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-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[5-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 158510884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158510884 — identifiers, structure, computed properties (public domain)

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