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-[7-chloro-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-(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

C104H100ClF15N10O14S4 — CID 162190460

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-[7-chloro-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-(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-[7-chloro-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-(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 162190460) has the molecular formula C104H100ClF15N10O14S4 and a molecular weight of 2162.69 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-[7-chloro-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-(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-[7-chloro-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-(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: 162190460
• Molecular Formula: C104H100ClF15N10O14S4
• Molecular Weight: 2162.69 g/mol
• Exact Mass: 2160.58
• 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-[7-chloro-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-(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)C(F)(F)F)nc2Cl.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
• InChI: InChI=1S/C28H27F4N3O5S.C28H29F4N3O3S.C27H24F4N2O3S.C21H20ClF3N2O3S/c1-25(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;1-19(2,3)31(29)27-20(10-9-13-7-5-4-6-8-13)12-30-16-14(20)11-15(26-18(16)22)17(28)21(23,24)25/h4-15,34,36H,16-17H2,1-3H3;4-15,35-36H,16-17,33H2,1-3H3;4-15,33H,16H2,1-3H3;4-11,27H,12H2,1-3H3/b3*14-13+;10-9+
• InChIKey: ZQFQUOMFCPNQBY-SPEACHPOSA-N
• XLogP: 21.03
• TPSA: 348.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2162.69
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-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-(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-[7-chloro-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-(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 162190460) 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-[7-chloro-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-(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-[7-chloro-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-(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-[7-chloro-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-(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)C(F)(F)F)nc2Cl.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.

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-[7-chloro-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-(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 ZQFQUOMFCPNQBY-SPEACHPOSA-N. The full InChI is InChI=1S/C28H27F4N3O5S.C28H29F4N3O3S.C27H24F4N2O3S.C21H20ClF3N2O3S/c1-25(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;1-19(2,3)31(29)27-20(10-9-13-7-5-4-6-8-13)12-30-16-14(20)11-15(26-18(16)22)17(28)21(23,24)25/h4-15,34,36H,16-17H2,1-3H3;4-15,35-36H,16-17,33H2,1-3H3;4-15,33H,16H2,1-3H3;4-11,27H,12H2,1-3H3/b3*14-13+;10-9+.

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-[7-chloro-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-(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-[7-chloro-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-(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 2162.69 g/mol, XLogP of 21.03, 26 rotatable bonds, 7 hydrogen bond donors, and 19 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-[7-chloro-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-(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 162190460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).