5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide

C188H160N24O28S10 — CID 158806726

IUPAC5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5s4)cnn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5cccnc5o4)ccn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cc5ccccc5s4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5ncccc5o4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5ccccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3nc(-c4cc5ccccc5s4)cnc3OC)cc12
InChIInChI=1S/C33H29N3O5S2.C32H28N4O5S2.C32H27N3O4S2.C31H26N4O4S2.2C30H25N5O5S/c1-19-10-12-20(13-11-19)31-30(32(37)34-2)24-16-23(26(17-27(24)41-31)36(3)43(5,38)39)22-14-25(33(40-4)35-18-22)29-15-21-8-6-7-9-28(21)42-29;1-18-10-12-19(13-11-18)30-28(31(37)33-2)22-15-21(24(16-25(22)41-30)36(3)43(5,38)39)29-32(40-4)34-17-23(35-29)27-14-20-8-6-7-9-26(20)42-27;1-19-12-14-20(15-13-19)31-30(32(36)33-2)23-17-22(26(18-27(23)39-31)35(3)41(4,37)38)24-9-7-10-25(34-24)29-16-21-8-5-6-11-28(21)40-29;1-18-9-11-19(12-10-18)30-29(31(36)32-2)23-15-22(25(16-26(23)39-30)35(3)41(4,37)38)24-13-21(17-33-34-24)28-14-20-7-5-6-8-27(20)40-28;1-17-10-12-18(13-11-17)27-26(29(36)31-2)20-15-19(23(16-25(20)39-27)35(3)41(4,37)38)21-7-5-8-22(33-21)30-34-28-24(40-30)9-6-14-32-28;1-17-7-9-18(10-8-17)27-26(28(36)31-2)21-15-20(24(16-25(21)39-27)35(3)41(4,37)38)23-14-19(11-13-32-23)29-34-22-6-5-12-33-30(22)40-29/h6-18H,1-5H3,(H,34,37);6-17H,1-5H3,(H,33,37);5-18H,1-4H3,(H,33,36);5-17H,1-4H3,(H,32,36);2*5-16H,1-4H3,(H,31,36)
InChIKeyIUDYMMOYEHDPQD-UHFFFAOYSA-N
MW3524.16 g/mol
LogP38.09
Rot. Bonds38

About 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide

5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide (PubChem CID 158806726) has the molecular formula C188H160N24O28S10 and a molecular weight of 3524.16 g/mol. Its IUPAC name is 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide
PubChem CID158806726
Molecular FormulaC188H160N24O28S10
Molecular Weight3524.16 g/mol
Exact Mass3520.90
IUPAC Name5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5s4)cnn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5cccnc5o4)ccn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cc5ccccc5s4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5ncccc5o4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5ccccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3nc(-c4cc5ccccc5s4)cnc3OC)cc12
InChIInChI=1S/C33H29N3O5S2.C32H28N4O5S2.C32H27N3O4S2.C31H26N4O4S2.2C30H25N5O5S/c1-19-10-12-20(13-11-19)31-30(32(37)34-2)24-16-23(26(17-27(24)41-31)36(3)43(5,38)39)22-14-25(33(40-4)35-18-22)29-15-21-8-6-7-9-28(21)42-29;1-18-10-12-19(13-11-18)30-28(31(37)33-2)22-15-21(24(16-25(22)41-30)36(3)43(5,38)39)29-32(40-4)34-17-23(35-29)27-14-20-8-6-7-9-26(20)42-27;1-19-12-14-20(15-13-19)31-30(32(36)33-2)23-17-22(26(18-27(23)39-31)35(3)41(4,37)38)24-9-7-10-25(34-24)29-16-21-8-5-6-11-28(21)40-29;1-18-9-11-19(12-10-18)30-29(31(36)32-2)23-15-22(25(16-26(23)39-30)35(3)41(4,37)38)24-13-21(17-33-34-24)28-14-20-7-5-6-8-27(20)40-28;1-17-10-12-18(13-11-17)27-26(29(36)31-2)20-15-19(23(16-25(20)39-27)35(3)41(4,37)38)21-7-5-8-22(33-21)30-34-28-24(40-30)9-6-14-32-28;1-17-7-9-18(10-8-17)27-26(28(36)31-2)21-15-20(24(16-25(21)39-27)35(3)41(4,37)38)23-14-19(11-13-32-23)29-34-22-6-5-12-33-30(22)40-29/h6-18H,1-5H3,(H,34,37);6-17H,1-5H3,(H,33,37);5-18H,1-4H3,(H,33,36);5-17H,1-4H3,(H,32,36);2*5-16H,1-4H3,(H,31,36)
InChIKeyIUDYMMOYEHDPQD-UHFFFAOYSA-N
XLogP38.09
TPSA677.14 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds38
Heavy Atoms250
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003524.16
LogP ≤ 538.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Analyze 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide (CID 158806726) is 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5s4)cnn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5cccnc5o4)ccn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cc5ccccc5s4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5ncccc5o4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4cc5ccccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3nc(-c4cc5ccccc5s4)cnc3OC)cc12.
What is the InChIKey of 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide?
The InChIKey is IUDYMMOYEHDPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O5S2.C32H28N4O5S2.C32H27N3O4S2.C31H26N4O4S2.2C30H25N5O5S/c1-19-10-12-20(13-11-19)31-30(32(37)34-2)24-16-23(26(17-27(24)41-31)36(3)43(5,38)39)22-14-25(33(40-4)35-18-22)29-15-21-8-6-7-9-28(21)42-29;1-18-10-12-19(13-11-18)30-28(31(37)33-2)22-15-21(24(16-25(22)41-30)36(3)43(5,38)39)29-32(40-4)34-17-23(35-29)27-14-20-8-6-7-9-26(20)42-27;1-19-12-14-20(15-13-19)31-30(32(36)33-2)23-17-22(26(18-27(23)39-31)35(3)41(4,37)38)24-9-7-10-25(34-24)29-16-21-8-5-6-11-28(21)40-29;1-18-9-11-19(12-10-18)30-29(31(36)32-2)23-15-22(25(16-26(23)39-30)35(3)41(4,37)38)24-13-21(17-33-34-24)28-14-20-7-5-6-8-27(20)40-28;1-17-10-12-18(13-11-17)27-26(29(36)31-2)20-15-19(23(16-25(20)39-27)35(3)41(4,37)38)21-7-5-8-22(33-21)30-34-28-24(40-30)9-6-14-32-28;1-17-7-9-18(10-8-17)27-26(28(36)31-2)21-15-20(24(16-25(21)39-27)35(3)41(4,37)38)23-14-19(11-13-32-23)29-34-22-6-5-12-33-30(22)40-29/h6-18H,1-5H3,(H,34,37);6-17H,1-5H3,(H,33,37);5-18H,1-4H3,(H,33,36);5-17H,1-4H3,(H,32,36);2*5-16H,1-4H3,(H,31,36).
What are the key properties of 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide?
5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide has a molecular weight of 3524.16 g/mol, XLogP of 38.09, 38 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1-benzothiophen-2-yl)-3-methoxypyrazin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(1-benzothiophen-2-yl)pyridazin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 158806726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).