5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide

C230H229F8N29O36S8 — CID 159745877

IUPAC5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5c(F)cccc5[nH]4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5cc(C(F)(F)F)ccc5n4C)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5cc(F)ccc5[nH]4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5cccc(F)c5o4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4nc5ccc(F)cc5[nH]4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4nc5ccc(F)cc5s4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4nc5ccccc5[nH]4)C3)cc12
InChIInChI=1S/C35H35F3N4O5S.2C33H33FN4O5S.C33H32FN3O6S.C32H32FN5O5S.C32H31FN4O5S2.C32H33N5O5S/c1-20-8-10-21(11-9-20)32-31(33(43)39-2)26-17-25(28(18-30(26)47-32)41(4)48(5,45)46)22-7-6-14-42(19-22)34(44)29-16-23-15-24(35(36,37)38)12-13-27(23)40(29)3;1-19-10-12-20(13-11-19)31-30(32(39)35-2)24-15-22(28(17-29(24)43-31)37(3)44(4,41)42)21-7-6-14-38(18-21)33(40)27-16-23-25(34)8-5-9-26(23)36-27;1-19-7-9-20(10-8-19)31-30(32(39)35-2)25-16-24(28(17-29(25)43-31)37(3)44(4,41)42)21-6-5-13-38(18-21)33(40)27-15-22-14-23(34)11-12-26(22)36-27;1-19-10-12-20(13-11-19)31-29(32(38)35-2)24-16-23(26(17-27(24)42-31)36(3)44(4,40)41)22-8-6-14-37(18-22)33(39)28-15-21-7-5-9-25(34)30(21)43-28;1-18-7-9-19(10-8-18)29-28(31(39)34-2)23-15-22(26(16-27(23)43-29)37(3)44(4,41)42)20-6-5-13-38(17-20)32(40)30-35-24-12-11-21(33)14-25(24)36-30;1-18-7-9-19(10-8-18)29-28(30(38)34-2)23-15-22(25(16-26(23)42-29)36(3)44(4,40)41)20-6-5-13-37(17-20)32(39)31-35-24-12-11-21(33)14-27(24)43-31;1-19-11-13-20(14-12-19)29-28(31(38)33-2)23-16-22(26(17-27(23)42-29)36(3)43(4,40)41)21-8-7-15-37(18-21)32(39)30-34-24-9-5-6-10-25(24)35-30/h8-13,15-18,22H,6-7,14,19H2,1-5H3,(H,39,43);5,8-13,15-17,21,36H,6-7,14,18H2,1-4H3,(H,35,39);7-12,14-17,21,36H,5-6,13,18H2,1-4H3,(H,35,39);5,7,9-13,15-17,22H,6,8,14,18H2,1-4H3,(H,35,38);7-12,14-16,20H,5-6,13,17H2,1-4H3,(H,34,39)(H,35,36);7-12,14-16,20H,5-6,13,17H2,1-4H3,(H,34,38);5-6,9-14,16-17,21H,7-8,15,18H2,1-4H3,(H,33,38)(H,34,35)/t22-;2*21-;22-;2*20-;21-/m0000000/s1
InChIKeyNDAOPJXMZCUJMA-BJMDYWEASA-N
MW4384.05 g/mol
LogP40.56
Rot. Bonds42

About 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide

5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide (PubChem CID 159745877) has the molecular formula C230H229F8N29O36S8 and a molecular weight of 4384.05 g/mol. Its IUPAC name is 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide
PubChem CID159745877
Molecular FormulaC230H229F8N29O36S8
Molecular Weight4384.05 g/mol
Exact Mass4380.46
IUPAC Name5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5c(F)cccc5[nH]4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5cc(C(F)(F)F)ccc5n4C)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5cc(F)ccc5[nH]4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5cccc(F)c5o4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4nc5ccc(F)cc5[nH]4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4nc5ccc(F)cc5s4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4nc5ccccc5[nH]4)C3)cc12
InChIInChI=1S/C35H35F3N4O5S.2C33H33FN4O5S.C33H32FN3O6S.C32H32FN5O5S.C32H31FN4O5S2.C32H33N5O5S/c1-20-8-10-21(11-9-20)32-31(33(43)39-2)26-17-25(28(18-30(26)47-32)41(4)48(5,45)46)22-7-6-14-42(19-22)34(44)29-16-23-15-24(35(36,37)38)12-13-27(23)40(29)3;1-19-10-12-20(13-11-19)31-30(32(39)35-2)24-15-22(28(17-29(24)43-31)37(3)44(4,41)42)21-7-6-14-38(18-21)33(40)27-16-23-25(34)8-5-9-26(23)36-27;1-19-7-9-20(10-8-19)31-30(32(39)35-2)25-16-24(28(17-29(25)43-31)37(3)44(4,41)42)21-6-5-13-38(18-21)33(40)27-15-22-14-23(34)11-12-26(22)36-27;1-19-10-12-20(13-11-19)31-29(32(38)35-2)24-16-23(26(17-27(24)42-31)36(3)44(4,40)41)22-8-6-14-37(18-22)33(39)28-15-21-7-5-9-25(34)30(21)43-28;1-18-7-9-19(10-8-18)29-28(31(39)34-2)23-15-22(26(16-27(23)43-29)37(3)44(4,41)42)20-6-5-13-38(17-20)32(40)30-35-24-12-11-21(33)14-25(24)36-30;1-18-7-9-19(10-8-18)29-28(30(38)34-2)23-15-22(25(16-26(23)42-29)36(3)44(4,40)41)20-6-5-13-37(17-20)32(39)31-35-24-12-11-21(33)14-27(24)43-31;1-19-11-13-20(14-12-19)29-28(31(38)33-2)23-16-22(26(17-27(23)42-29)36(3)43(4,40)41)21-8-7-15-37(18-21)32(39)30-34-24-9-5-6-10-25(24)35-30/h8-13,15-18,22H,6-7,14,19H2,1-5H3,(H,39,43);5,8-13,15-17,21,36H,6-7,14,18H2,1-4H3,(H,35,39);7-12,14-17,21,36H,5-6,13,18H2,1-4H3,(H,35,39);5,7,9-13,15-17,22H,6,8,14,18H2,1-4H3,(H,35,38);7-12,14-16,20H,5-6,13,17H2,1-4H3,(H,34,39)(H,35,36);7-12,14-16,20H,5-6,13,17H2,1-4H3,(H,34,38);5-6,9-14,16-17,21H,7-8,15,18H2,1-4H3,(H,33,38)(H,34,35)/t22-;2*21-;22-;2*20-;21-/m0000000/s1
InChIKeyNDAOPJXMZCUJMA-BJMDYWEASA-N
XLogP40.56
TPSA819.41 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004384.05
LogP ≤ 540.56
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide (CID 159745877) is 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5c(F)cccc5[nH]4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5cc(C(F)(F)F)ccc5n4C)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5cc(F)ccc5[nH]4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4cc5cccc(F)c5o4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4nc5ccc(F)cc5[nH]4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4nc5ccc(F)cc5s4)C3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(C(=O)c4nc5ccccc5[nH]4)C3)cc12.
What is the InChIKey of 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide?
The InChIKey is NDAOPJXMZCUJMA-BJMDYWEASA-N. The full InChI is InChI=1S/C35H35F3N4O5S.2C33H33FN4O5S.C33H32FN3O6S.C32H32FN5O5S.C32H31FN4O5S2.C32H33N5O5S/c1-20-8-10-21(11-9-20)32-31(33(43)39-2)26-17-25(28(18-30(26)47-32)41(4)48(5,45)46)22-7-6-14-42(19-22)34(44)29-16-23-15-24(35(36,37)38)12-13-27(23)40(29)3;1-19-10-12-20(13-11-19)31-30(32(39)35-2)24-15-22(28(17-29(24)43-31)37(3)44(4,41)42)21-7-6-14-38(18-21)33(40)27-16-23-25(34)8-5-9-26(23)36-27;1-19-7-9-20(10-8-19)31-30(32(39)35-2)25-16-24(28(17-29(25)43-31)37(3)44(4,41)42)21-6-5-13-38(18-21)33(40)27-15-22-14-23(34)11-12-26(22)36-27;1-19-10-12-20(13-11-19)31-29(32(38)35-2)24-16-23(26(17-27(24)42-31)36(3)44(4,40)41)22-8-6-14-37(18-22)33(39)28-15-21-7-5-9-25(34)30(21)43-28;1-18-7-9-19(10-8-18)29-28(31(39)34-2)23-15-22(26(16-27(23)43-29)37(3)44(4,41)42)20-6-5-13-38(17-20)32(40)30-35-24-12-11-21(33)14-25(24)36-30;1-18-7-9-19(10-8-18)29-28(30(38)34-2)23-15-22(25(16-26(23)42-29)36(3)44(4,40)41)20-6-5-13-37(17-20)32(39)31-35-24-12-11-21(33)14-27(24)43-31;1-19-11-13-20(14-12-19)29-28(31(38)33-2)23-16-22(26(17-27(23)42-29)36(3)43(4,40)41)21-8-7-15-37(18-21)32(39)30-34-24-9-5-6-10-25(24)35-30/h8-13,15-18,22H,6-7,14,19H2,1-5H3,(H,39,43);5,8-13,15-17,21,36H,6-7,14,18H2,1-4H3,(H,35,39);7-12,14-17,21,36H,5-6,13,18H2,1-4H3,(H,35,39);5,7,9-13,15-17,22H,6,8,14,18H2,1-4H3,(H,35,38);7-12,14-16,20H,5-6,13,17H2,1-4H3,(H,34,39)(H,35,36);7-12,14-16,20H,5-6,13,17H2,1-4H3,(H,34,38);5-6,9-14,16-17,21H,7-8,15,18H2,1-4H3,(H,33,38)(H,34,35)/t22-;2*21-;22-;2*20-;21-/m0000000/s1.
What are the key properties of 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide?
5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide has a molecular weight of 4384.05 g/mol, XLogP of 40.56, 42 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1H-benzimidazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(7-fluoro-1-benzofuran-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(6-fluoro-1,3-benzothiazole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[(3R)-1-[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]piperidin-3-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 159745877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).