5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide

C194H167FN20O25S11 — CID 158902471

IUPAC5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(F)c(-c4nc5ccccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(OC)c(-c4nc5ccccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cn5ccccc5n4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5c(C)cccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5ccc(C)cc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5cccnc5s4)c3)cc12
InChIInChI=1S/C33H29N3O5S2.2C33H29N3O4S2.C32H26FN3O4S2.C32H28N4O4S.C31H26N4O4S2/c1-19-10-12-20(13-11-19)31-30(32(37)34-2)23-17-22(26(18-28(23)41-31)36(3)43(5,38)39)21-14-15-27(40-4)24(16-21)33-35-25-8-6-7-9-29(25)42-33;1-19-12-14-21(15-13-19)31-29(32(37)34-3)25-17-24(26(18-27(25)40-31)36(4)42(5,38)39)22-9-7-10-23(16-22)33-35-30-20(2)8-6-11-28(30)41-33;1-19-9-12-21(13-10-19)31-30(32(37)34-3)25-17-24(27(18-28(25)40-31)36(4)42(5,38)39)22-7-6-8-23(16-22)33-35-26-14-11-20(2)15-29(26)41-33;1-18-9-11-19(12-10-18)30-29(31(37)34-2)23-16-21(26(17-27(23)40-30)36(3)42(4,38)39)20-13-14-24(33)22(15-20)32-35-25-7-5-6-8-28(25)41-32;1-20-11-13-21(14-12-20)31-30(32(37)33-2)25-17-24(27(18-28(25)40-31)35(3)41(4,38)39)22-8-7-9-23(16-22)26-19-36-15-6-5-10-29(36)34-26;1-18-10-12-19(13-11-18)28-27(29(36)32-2)23-16-22(25(17-26(23)39-28)35(3)41(4,37)38)20-7-5-8-21(15-20)30-34-24-9-6-14-33-31(24)40-30/h6-18H,1-5H3,(H,34,37);2*6-18H,1-5H3,(H,34,37);5-17H,1-4H3,(H,34,37);5-19H,1-4H3,(H,33,37);5-17H,1-4H3,(H,32,36)
InChIKeyJFPSOTZCNPFZRC-UHFFFAOYSA-N
MW3550.32 g/mol
LogP41.84
Rot. Bonds37

About 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide

5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 158902471) has the molecular formula C194H167FN20O25S11 and a molecular weight of 3550.32 g/mol. Its IUPAC name is 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID158902471
Molecular FormulaC194H167FN20O25S11
Molecular Weight3550.32 g/mol
Exact Mass3546.93
IUPAC Name5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(F)c(-c4nc5ccccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(OC)c(-c4nc5ccccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cn5ccccc5n4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5c(C)cccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5ccc(C)cc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5cccnc5s4)c3)cc12
InChIInChI=1S/C33H29N3O5S2.2C33H29N3O4S2.C32H26FN3O4S2.C32H28N4O4S.C31H26N4O4S2/c1-19-10-12-20(13-11-19)31-30(32(37)34-2)23-17-22(26(18-28(23)41-31)36(3)43(5,38)39)21-14-15-27(40-4)24(16-21)33-35-25-8-6-7-9-29(25)42-33;1-19-12-14-21(15-13-19)31-29(32(37)34-3)25-17-24(26(18-27(25)40-31)36(4)42(5,38)39)22-9-7-10-23(16-22)33-35-30-20(2)8-6-11-28(30)41-33;1-19-9-12-21(13-10-19)31-30(32(37)34-3)25-17-24(27(18-28(25)40-31)36(4)42(5,38)39)22-7-6-8-23(16-22)33-35-26-14-11-20(2)15-29(26)41-33;1-18-9-11-19(12-10-18)30-29(31(37)34-2)23-16-21(26(17-27(23)40-30)36(3)42(4,38)39)20-13-14-24(33)22(15-20)32-35-25-7-5-6-8-28(25)41-32;1-20-11-13-21(14-12-20)31-30(32(37)33-2)25-17-24(27(18-28(25)40-31)35(3)41(4,38)39)22-8-7-9-23(16-22)26-19-36-15-6-5-10-29(36)34-26;1-18-10-12-19(13-11-18)28-27(29(36)32-2)23-16-22(25(17-26(23)39-28)35(3)41(4,37)38)20-7-5-8-21(15-20)30-34-24-9-6-14-33-31(24)40-30/h6-18H,1-5H3,(H,34,37);2*6-18H,1-5H3,(H,34,37);5-17H,1-4H3,(H,34,37);5-19H,1-4H3,(H,33,37);5-17H,1-4H3,(H,32,36)
InChIKeyJFPSOTZCNPFZRC-UHFFFAOYSA-N
XLogP41.84
TPSA581.59 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003550.32
LogP ≤ 541.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1-benzofuran-3-carboxamide
CID 77845417
2-(4-fluorophenyl)-5-[4-methoxy-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 68239427
2-(4-fluorophenyl)-5-[3-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 68239710
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71141978
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71141992
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71141996
2-(4-fluorophenyl)-5-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71142017
2-(4-fluorophenyl)-5-[4-fluoro-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71142018
2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509258
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide
CID 71509402
2-(2-ethylthiazol-5-yl)-5-(11-fluoropyrido[3',2':4,5]pyrimido[1,6-a]indol-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 78318752
CID 89428971
CID 89428971

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide (CID 158902471) is 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(F)c(-c4nc5ccccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(OC)c(-c4nc5ccccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cn5ccccc5n4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5c(C)cccc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5ccc(C)cc5s4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4nc5cccnc5s4)c3)cc12.
What is the InChIKey of 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is JFPSOTZCNPFZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O5S2.2C33H29N3O4S2.C32H26FN3O4S2.C32H28N4O4S.C31H26N4O4S2/c1-19-10-12-20(13-11-19)31-30(32(37)34-2)23-17-22(26(18-28(23)41-31)36(3)43(5,38)39)21-14-15-27(40-4)24(16-21)33-35-25-8-6-7-9-29(25)42-33;1-19-12-14-21(15-13-19)31-29(32(37)34-3)25-17-24(26(18-27(25)40-31)36(4)42(5,38)39)22-9-7-10-23(16-22)33-35-30-20(2)8-6-11-28(30)41-33;1-19-9-12-21(13-10-19)31-30(32(37)34-3)25-17-24(27(18-28(25)40-31)36(4)42(5,38)39)22-7-6-8-23(16-22)33-35-26-14-11-20(2)15-29(26)41-33;1-18-9-11-19(12-10-18)30-29(31(37)34-2)23-16-21(26(17-27(23)40-30)36(3)42(4,38)39)20-13-14-24(33)22(15-20)32-35-25-7-5-6-8-28(25)41-32;1-20-11-13-21(14-12-20)31-30(32(37)33-2)25-17-24(27(18-28(25)40-31)35(3)41(4,38)39)22-8-7-9-23(16-22)26-19-36-15-6-5-10-29(36)34-26;1-18-10-12-19(13-11-18)28-27(29(36)32-2)23-16-22(25(17-26(23)39-28)35(3)41(4,37)38)20-7-5-8-21(15-20)30-34-24-9-6-14-33-31(24)40-30/h6-18H,1-5H3,(H,34,37);2*6-18H,1-5H3,(H,34,37);5-17H,1-4H3,(H,34,37);5-19H,1-4H3,(H,33,37);5-17H,1-4H3,(H,32,36).
What are the key properties of 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide?
5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 3550.32 g/mol, XLogP of 41.84, 37 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-5-[3-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 158902471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).