N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid

C138H122F8N10O25S9 — CID 157392640

About N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid

N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid (PubChem CID 157392640) has the molecular formula C138H122F8N10O25S9 and a molecular weight of 2761.13 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid.

Molecular Properties

• Compound Name: N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid
• PubChem CID: 157392640
• Molecular Formula: C138H122F8N10O25S9
• Molecular Weight: 2761.13 g/mol
• Exact Mass: 2758.59
• IUPAC Name: N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid
• SMILES: Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N=S(C)(=O)CCCC(=O)O)sc34)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N=S(C)(=O)CCCC(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N=S(C)(C)=O)sc34)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N=S(C)(C)=O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCCCC(=O)O)sc34)cc2F)c1
• InChI: InChI=1S/C29H26F2N2O6S2.C29H27FN2O6S2.C28H24F2N2O5S.C26H22F2N2O4S2.C26H23FN2O4S2/c1-17-5-8-22(30)19(12-17)14-20(34)13-18-6-7-21(15-23(18)31)39-25-9-10-32-24-16-26(40-28(24)25)29(37)33-41(2,38)11-3-4-27(35)36;1-18-5-10-23(30)20(14-18)16-21(33)15-19-6-8-22(9-7-19)38-25-11-12-31-24-17-26(39-28(24)25)29(36)32-40(2,37)13-3-4-27(34)35;1-16-4-7-21(29)18(11-16)13-19(33)12-17-5-6-20(14-22(17)30)37-24-8-10-31-23-15-25(38-27(23)24)28(36)32-9-2-3-26(34)35;1-15-4-7-20(27)17(10-15)12-18(31)11-16-5-6-19(13-21(16)28)34-23-8-9-29-22-14-24(35-25(22)23)26(32)30-36(2,3)33;1-16-4-9-21(27)18(12-16)14-19(30)13-17-5-7-20(8-6-17)33-23-10-11-28-22-15-24(34-25(22)23)26(31)29-35(2,3)32/h5-10,12,15-16H,3-4,11,13-14H2,1-2H3,(H,35,36);5-12,14,17H,3-4,13,15-16H2,1-2H3,(H,34,35);4-8,10-11,14-15H,2-3,9,12-13H2,1H3,(H,32,36)(H,34,35);4-10,13-14H,11-12H2,1-3H3;4-12,15H,13-14H2,1-3H3
• InChIKey: BMEMNLRZLWHWKP-UHFFFAOYSA-N
• XLogP: 29.41
• TPSA: 522.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 47
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2761.13
LogP ≤ 5	29.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid?

The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid (CID 157392640) is N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid.

What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid?

The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid is Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N=S(C)(=O)CCCC(=O)O)sc34)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N=S(C)(=O)CCCC(=O)O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N=S(C)(C)=O)sc34)cc2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)N=S(C)(C)=O)sc34)cc2F)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc4cc(C(=O)NCCCC(=O)O)sc34)cc2F)c1.

What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid?

The InChIKey is BMEMNLRZLWHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N2O6S2.C29H27FN2O6S2.C28H24F2N2O5S.C26H22F2N2O4S2.C26H23FN2O4S2/c1-17-5-8-22(30)19(12-17)14-20(34)13-18-6-7-21(15-23(18)31)39-25-9-10-32-24-16-26(40-28(24)25)29(37)33-41(2,38)11-3-4-27(35)36;1-18-5-10-23(30)20(14-18)16-21(33)15-19-6-8-22(9-7-19)38-25-11-12-31-24-17-26(39-28(24)25)29(36)32-40(2,37)13-3-4-27(34)35;1-16-4-7-21(29)18(11-16)13-19(33)12-17-5-6-20(14-22(17)30)37-24-8-10-31-23-15-25(38-27(23)24)28(36)32-9-2-3-26(34)35;1-15-4-7-20(27)17(10-15)12-18(31)11-16-5-6-19(13-21(16)28)34-23-8-9-29-22-14-24(35-25(22)23)26(32)30-36(2,3)33;1-16-4-9-21(27)18(12-16)14-19(30)13-17-5-7-20(8-6-17)33-23-10-11-28-22-15-24(34-25(22)23)26(31)29-35(2,3)32/h5-10,12,15-16H,3-4,11,13-14H2,1-2H3,(H,35,36);5-12,14,17H,3-4,13,15-16H2,1-2H3,(H,34,35);4-8,10-11,14-15H,2-3,9,12-13H2,1H3,(H,32,36)(H,34,35);4-10,13-14H,11-12H2,1-3H3;4-12,15H,13-14H2,1-3H3.

What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid?

N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid has a molecular weight of 2761.13 g/mol, XLogP of 29.41, 47 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide;4-[[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]butanoic acid;4-[N-[7-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid;4-[N-[7-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]-S-methylsulfonimidoyl]butanoic acid is sourced from PubChem (CID 157392640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).