tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide

C166H170N24O24S5 — CID 158096499

IUPACtert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(c3)ncn4-c3ccccc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(c3)ncn4-c3cccnc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(C5CCCNC5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cc12
InChIInChI=1S/2C36H41N5O6S.C32H28N4O4S.C31H27N5O4S.C31H33N5O4S/c1-22-8-10-23(11-9-22)33-32(34(42)37-5)27-19-26(29(20-31(27)46-33)39(6)48(7,44)45)24-12-13-28-30(18-24)41(21-38-28)25-14-16-40(17-15-25)35(43)47-36(2,3)4;1-22-10-12-23(13-11-22)33-32(34(42)37-5)27-18-26(29(19-31(27)46-33)39(6)48(7,44)45)24-14-15-28-30(17-24)41(21-38-28)25-9-8-16-40(20-25)35(43)47-36(2,3)4;1-20-10-12-21(13-11-20)31-30(32(37)33-2)25-17-24(28(18-29(25)40-31)35(3)41(4,38)39)22-14-15-27-26(16-22)34-19-36(27)23-8-6-5-7-9-23;1-19-7-9-20(10-8-19)30-29(31(37)32-2)24-15-23(27(16-28(24)40-30)35(3)41(4,38)39)21-11-12-26-25(14-21)34-18-36(26)22-6-5-13-33-17-22;1-19-7-9-20(10-8-19)30-29(31(37)32-2)24-15-23(26(16-28(24)40-30)35(3)41(4,38)39)21-11-12-25-27(14-21)36(18-34-25)22-6-5-13-33-17-22/h8-13,18-21,25H,14-17H2,1-7H3,(H,37,42);10-15,17-19,21,25H,8-9,16,20H2,1-7H3,(H,37,42);5-19H,1-4H3,(H,33,37);5-18H,1-4H3,(H,32,37);7-12,14-16,18,22,33H,5-6,13,17H2,1-4H3,(H,32,37)
InChIKeyFOSQLBUFSSNASX-UHFFFAOYSA-N
MW3045.66 g/mol
LogP30.34
Rot. Bonds30

About tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide

tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide (PubChem CID 158096499) has the molecular formula C166H170N24O24S5 and a molecular weight of 3045.66 g/mol. Its IUPAC name is tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Nametert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
PubChem CID158096499
Molecular FormulaC166H170N24O24S5
Molecular Weight3045.66 g/mol
Exact Mass3043.14
IUPAC Nametert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(c3)ncn4-c3ccccc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(c3)ncn4-c3cccnc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(C5CCCNC5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cc12
InChIInChI=1S/2C36H41N5O6S.C32H28N4O4S.C31H27N5O4S.C31H33N5O4S/c1-22-8-10-23(11-9-22)33-32(34(42)37-5)27-19-26(29(20-31(27)46-33)39(6)48(7,44)45)24-12-13-28-30(18-24)41(21-38-28)25-14-16-40(17-15-25)35(43)47-36(2,3)4;1-22-10-12-23(13-11-22)33-32(34(42)37-5)27-18-26(29(19-31(27)46-33)39(6)48(7,44)45)24-14-15-28-30(17-24)41(21-38-28)25-9-8-16-40(20-25)35(43)47-36(2,3)4;1-20-10-12-21(13-11-20)31-30(32(37)33-2)25-17-24(28(18-29(25)40-31)35(3)41(4,38)39)22-14-15-27-26(16-22)34-19-36(27)23-8-6-5-7-9-23;1-19-7-9-20(10-8-19)30-29(31(37)32-2)24-15-23(27(16-28(24)40-30)35(3)41(4,38)39)21-11-12-26-25(14-21)34-18-36(26)22-6-5-13-33-17-22;1-19-7-9-20(10-8-19)30-29(31(37)32-2)24-15-23(26(16-28(24)40-30)35(3)41(4,38)39)21-11-12-25-27(14-21)36(18-34-25)22-6-5-13-33-17-22/h8-13,18-21,25H,14-17H2,1-7H3,(H,37,42);10-15,17-19,21,25H,8-9,16,20H2,1-7H3,(H,37,42);5-19H,1-4H3,(H,33,37);5-18H,1-4H3,(H,32,37);7-12,14-16,18,22,33H,5-6,13,17H2,1-4H3,(H,32,37)
InChIKeyFOSQLBUFSSNASX-UHFFFAOYSA-N
XLogP30.34
TPSA571.20 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003045.66
LogP ≤ 530.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16)-pentaen-4-yl)-1-benzofuran-3-carboxamide
CID 89435049
2-(4-fluorophenyl)-5-[3-[1-(2-imidazol-1-ylethyl)indol-2-yl]phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 68239704
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 68239714
5-(8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 71295655
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(3-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
CID 71509109
2-(4-fluorophenyl)-5-[3-(3-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509111
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(1-phenylbenzimidazol-4-yl)-1-benzofuran-3-carboxamide
CID 71509314
2-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509460
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(3-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
CID 71509540
5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509594
2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509595
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
CID 71509816

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide (CID 158096499) is tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(c3)ncn4-c3ccccc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(c3)ncn4-c3cccnc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(C5CCCN(C(=O)OC(C)(C)C)C5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(C5CCCNC5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(C5CCN(C(=O)OC(C)(C)C)CC5)c4c3)cc12.
What is the InChIKey of tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
The InChIKey is FOSQLBUFSSNASX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H41N5O6S.C32H28N4O4S.C31H27N5O4S.C31H33N5O4S/c1-22-8-10-23(11-9-22)33-32(34(42)37-5)27-19-26(29(20-31(27)46-33)39(6)48(7,44)45)24-12-13-28-30(18-24)41(21-38-28)25-14-16-40(17-15-25)35(43)47-36(2,3)4;1-22-10-12-23(13-11-22)33-32(34(42)37-5)27-18-26(29(19-31(27)46-33)39(6)48(7,44)45)24-14-15-28-30(17-24)41(21-38-28)25-9-8-16-40(20-25)35(43)47-36(2,3)4;1-20-10-12-21(13-11-20)31-30(32(37)33-2)25-17-24(28(18-29(25)40-31)35(3)41(4,38)39)22-14-15-27-26(16-22)34-19-36(27)23-8-6-5-7-9-23;1-19-7-9-20(10-8-19)30-29(31(37)32-2)24-15-23(27(16-28(24)40-30)35(3)41(4,38)39)21-11-12-26-25(14-21)34-18-36(26)22-6-5-13-33-17-22;1-19-7-9-20(10-8-19)30-29(31(37)32-2)24-15-23(26(16-28(24)40-30)35(3)41(4,38)39)21-11-12-25-27(14-21)36(18-34-25)22-6-5-13-33-17-22/h8-13,18-21,25H,14-17H2,1-7H3,(H,37,42);10-15,17-19,21,25H,8-9,16,20H2,1-7H3,(H,37,42);5-19H,1-4H3,(H,33,37);5-18H,1-4H3,(H,32,37);7-12,14-16,18,22,33H,5-6,13,17H2,1-4H3,(H,32,37).
What are the key properties of tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide has a molecular weight of 3045.66 g/mol, XLogP of 30.34, 30 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[6-[3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-5-yl]benzimidazol-1-yl]piperidine-1-carboxylate;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-phenylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-piperidin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 158096499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).