acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C66H51F4N7O13S2 — CID 159197548

About acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 159197548) has the molecular formula C66H51F4N7O13S2 and a molecular weight of 1290.30 g/mol. Its IUPAC name is acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• PubChem CID: 159197548
• Molecular Formula: C66H51F4N7O13S2
• Molecular Weight: 1290.30 g/mol
• Exact Mass: 1289.29
• IUPAC Name: acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• SMILES: CC(=O)O.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(O)c(C4=Cc5c(F)cccc5C4)n3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4oc(=O)n5c6cccc(F)c6cc5c4n3)cc12
• InChI: InChI=1S/C32H22F2N4O6S.C32H25F2N3O5S.C2H4O2/c1-35-31(39)28-20-13-19(24(37(2)45(3,41)42)15-27(20)43-30(28)16-7-9-17(33)10-8-16)22-11-12-26-29(36-22)25-14-18-21(34)5-4-6-23(18)38(25)32(40)44-26;1-35-32(39)29-23-15-22(25-11-12-27(38)30(36-25)19-13-18-5-4-6-24(34)21(18)14-19)26(37(2)43(3,40)41)16-28(23)42-31(29)17-7-9-20(33)10-8-17;1-2(3)4/h4-15H,1-3H3,(H,35,39);4-12,14-16,38H,13H2,1-3H3,(H,35,39);1H3,(H,3,4)
• InChIKey: GPQHJEBYQXDLGQ-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 277.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1290.30
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The IUPAC name of acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 159197548) is acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

What is the SMILES notation for acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The canonical SMILES for acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CC(=O)O.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(O)c(C4=Cc5c(F)cccc5C4)n3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4oc(=O)n5c6cccc(F)c6cc5c4n3)cc12.

What is the InChIKey of acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The InChIKey is GPQHJEBYQXDLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F2N4O6S.C32H25F2N3O5S.C2H4O2/c1-35-31(39)28-20-13-19(24(37(2)45(3,41)42)15-27(20)43-30(28)16-7-9-17(33)10-8-16)22-11-12-26-29(36-22)25-14-18-21(34)5-4-6-23(18)38(25)32(40)44-26;1-35-32(39)29-23-15-22(25-11-12-27(38)30(36-25)19-13-18-5-4-6-24(34)21(18)14-19)26(37(2)43(3,40)41)16-28(23)42-31(29)17-7-9-20(33)10-8-17;1-2(3)4/h4-15H,1-3H3,(H,35,39);4-12,14-16,38H,13H2,1-3H3,(H,35,39);1H3,(H,3,4).

What are the key properties of acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 1290.30 g/mol, XLogP of 11.80, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 159197548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).