N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide

C211H262F21N41O35S7 — CID 163891494

IUPACN-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide
SMILESCCC(=O)CCCCCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)CCCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)CCCOCCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)NCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)NCCOCCOCCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)NCCOCCOCCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1.CCCCCCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1
InChIInChI=1S/C32H40F3N5O4S.C31H39F3N6O7S.C30H40F3N9O7S.C30H36F3N5O6S.C30H36F3N5O4S.C30H38F3N5O3S.C28H33F3N6O4S/c1-3-26(41)13-9-7-5-4-6-8-10-19-36-30(42)24-15-17-25(18-16-24)39-31-38-22-28(32(33,34)35)29(40-31)37-21-23-12-11-14-27(20-23)45(2,43)44;1-3-27(41)35-11-13-45-15-17-47-18-16-46-14-12-36-29(42)23-7-9-24(10-8-23)39-30-38-21-26(31(32,33)34)28(40-30)37-20-22-5-4-6-25(19-22)48(2,43)44;1-4-25(43)35-11-13-47-15-17-49-18-16-48-14-12-37-28(44)21-5-7-22(8-6-21)40-29-39-19-23(30(31,32)33)26(41-29)38-20-24-27(36-10-9-34-24)42(2)50(3,45)46;1-3-24(39)7-5-14-43-16-17-44-15-13-34-28(40)22-9-11-23(12-10-22)37-29-36-20-26(30(31,32)33)27(38-29)35-19-21-6-4-8-25(18-21)45(2,41)42;1-3-24(39)11-7-5-4-6-8-17-34-28(40)22-13-15-23(16-14-22)37-29-36-20-26(30(31,32)33)27(38-29)35-19-21-10-9-12-25(18-21)43(2,41)42;1-3-4-5-6-7-8-9-10-18-34-28(39)23-14-16-24(17-15-23)37-29-36-21-26(30(31,32)33)27(38-29)35-20-22-12-11-13-25(19-22)42(2,40)41;1-3-24(38)32-14-5-4-6-15-33-26(39)20-10-12-21(13-11-20)36-27-35-18-23(28(29,30)31)25(37-27)34-17-19-8-7-9-22(16-19)42(2,40)41/h11-12,14-18,20,22H,3-10,13,19,21H2,1-2H3,(H,36,42)(H2,37,38,39,40);4-10,19,21H,3,11-18,20H2,1-2H3,(H,35,41)(H,36,42)(H2,37,38,39,40);5-10,19H,4,11-18,20H2,1-3H3,(H,35,43)(H,37,44)(H2,38,39,40,41);4,6,8-12,18,20H,3,5,7,13-17,19H2,1-2H3,(H,34,40)(H2,35,36,37,38);9-10,12-16,18,20H,3-8,11,17,19H2,1-2H3,(H,34,40)(H2,35,36,37,38);11-17,19,21H,3-10,18,20H2,1-2H3,(H,34,39)(H2,35,36,37,38);7-13,16,18H,3-6,14-15,17H2,1-2H3,(H,32,38)(H,33,39)(H2,34,35,36,37)
InChIKeyQBXQKRQUXKPKEP-UHFFFAOYSA-N
MW4556.10 g/mol
LogP35.87
Rot. Bonds123

About N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide

N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide (PubChem CID 163891494) has the molecular formula C211H262F21N41O35S7 and a molecular weight of 4556.10 g/mol. Its IUPAC name is N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide.

Molecular Properties

Compound NameN-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide
PubChem CID163891494
Molecular FormulaC211H262F21N41O35S7
Molecular Weight4556.10 g/mol
Exact Mass4552.77
IUPAC NameN-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide
SMILESCCC(=O)CCCCCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)CCCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)CCCOCCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)NCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)NCCOCCOCCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)NCCOCCOCCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1.CCCCCCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1
InChIInChI=1S/C32H40F3N5O4S.C31H39F3N6O7S.C30H40F3N9O7S.C30H36F3N5O6S.C30H36F3N5O4S.C30H38F3N5O3S.C28H33F3N6O4S/c1-3-26(41)13-9-7-5-4-6-8-10-19-36-30(42)24-15-17-25(18-16-24)39-31-38-22-28(32(33,34)35)29(40-31)37-21-23-12-11-14-27(20-23)45(2,43)44;1-3-27(41)35-11-13-45-15-17-47-18-16-46-14-12-36-29(42)23-7-9-24(10-8-23)39-30-38-21-26(31(32,33)34)28(40-30)37-20-22-5-4-6-25(19-22)48(2,43)44;1-4-25(43)35-11-13-47-15-17-49-18-16-48-14-12-37-28(44)21-5-7-22(8-6-21)40-29-39-19-23(30(31,32)33)26(41-29)38-20-24-27(36-10-9-34-24)42(2)50(3,45)46;1-3-24(39)7-5-14-43-16-17-44-15-13-34-28(40)22-9-11-23(12-10-22)37-29-36-20-26(30(31,32)33)27(38-29)35-19-21-6-4-8-25(18-21)45(2,41)42;1-3-24(39)11-7-5-4-6-8-17-34-28(40)22-13-15-23(16-14-22)37-29-36-20-26(30(31,32)33)27(38-29)35-19-21-10-9-12-25(18-21)43(2,41)42;1-3-4-5-6-7-8-9-10-18-34-28(39)23-14-16-24(17-15-23)37-29-36-21-26(30(31,32)33)27(38-29)35-20-22-12-11-13-25(19-22)42(2,40)41;1-3-24(38)32-14-5-4-6-15-33-26(39)20-10-12-21(13-11-20)36-27-35-18-23(28(29,30)31)25(37-27)34-17-19-8-7-9-22(16-19)42(2,40)41/h11-12,14-18,20,22H,3-10,13,19,21H2,1-2H3,(H,36,42)(H2,37,38,39,40);4-10,19,21H,3,11-18,20H2,1-2H3,(H,35,41)(H,36,42)(H2,37,38,39,40);5-10,19H,4,11-18,20H2,1-3H3,(H,35,43)(H,37,44)(H2,38,39,40,41);4,6,8-12,18,20H,3,5,7,13-17,19H2,1-2H3,(H,34,40)(H2,35,36,37,38);9-10,12-16,18,20H,3-8,11,17,19H2,1-2H3,(H,34,40)(H2,35,36,37,38);11-17,19,21H,3-10,18,20H2,1-2H3,(H,34,39)(H2,35,36,37,38);7-13,16,18H,3-6,14-15,17H2,1-2H3,(H,32,38)(H,33,39)(H2,34,35,36,37)
InChIKeyQBXQKRQUXKPKEP-UHFFFAOYSA-N
XLogP35.87
TPSA1032.93 Ų
H-Bond Donors24
H-Bond Acceptors65
Rotatable Bonds123
Heavy Atoms315
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004556.10
LogP ≤ 535.87
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1065

Analyze N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide with MolForge

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Related Compounds

4-[[2-fluoro-4-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515550
N-[2-[2-[2-[4-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-phenylacetamide
CID 153555612
N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 157898378
N,N-dimethyl-4-[[4-[2-[3-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N,N-dimethyl-3-[[4-[2-[3-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[4-[2-[2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[2-[2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]ethyl]-N-(2-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 160639785
N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide
CID 162013225
N-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 162052784
N-[2-[2-[2-[4-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propanamide
CID 162769711
ethane;N-methyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 163438604
methane;6-[2-[2-[2-[4-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]hexan-3-one;N-[2-[2-[2-[4-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propanamide;N-[6-[4-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]hexyl]propanamide;9-[4-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]nonan-3-one;N-[8-[4-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]octyl]propanamide
CID 163446027
ethane;methane;N-methyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 163714086
N-tert-butyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;(4-tert-butylpiperazin-1-yl)-[4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 163882205
N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide
CID 164013464

Frequently Asked Questions

What is the IUPAC name of N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide?
The IUPAC name of N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide (CID 163891494) is N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide.
What is the SMILES notation for N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide?
The canonical SMILES for N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide is CCC(=O)CCCCCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)CCCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)CCCOCCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)NCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)NCCOCCOCCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.CCC(=O)NCCOCCOCCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1.CCCCCCCCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(S(C)(=O)=O)c3)n2)cc1.
What is the InChIKey of N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide?
The InChIKey is QBXQKRQUXKPKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F3N5O4S.C31H39F3N6O7S.C30H40F3N9O7S.C30H36F3N5O6S.C30H36F3N5O4S.C30H38F3N5O3S.C28H33F3N6O4S/c1-3-26(41)13-9-7-5-4-6-8-10-19-36-30(42)24-15-17-25(18-16-24)39-31-38-22-28(32(33,34)35)29(40-31)37-21-23-12-11-14-27(20-23)45(2,43)44;1-3-27(41)35-11-13-45-15-17-47-18-16-46-14-12-36-29(42)23-7-9-24(10-8-23)39-30-38-21-26(31(32,33)34)28(40-30)37-20-22-5-4-6-25(19-22)48(2,43)44;1-4-25(43)35-11-13-47-15-17-49-18-16-48-14-12-37-28(44)21-5-7-22(8-6-21)40-29-39-19-23(30(31,32)33)26(41-29)38-20-24-27(36-10-9-34-24)42(2)50(3,45)46;1-3-24(39)7-5-14-43-16-17-44-15-13-34-28(40)22-9-11-23(12-10-22)37-29-36-20-26(30(31,32)33)27(38-29)35-19-21-6-4-8-25(18-21)45(2,41)42;1-3-24(39)11-7-5-4-6-8-17-34-28(40)22-13-15-23(16-14-22)37-29-36-20-26(30(31,32)33)27(38-29)35-19-21-10-9-12-25(18-21)43(2,41)42;1-3-4-5-6-7-8-9-10-18-34-28(39)23-14-16-24(17-15-23)37-29-36-21-26(30(31,32)33)27(38-29)35-20-22-12-11-13-25(19-22)42(2,40)41;1-3-24(38)32-14-5-4-6-15-33-26(39)20-10-12-21(13-11-20)36-27-35-18-23(28(29,30)31)25(37-27)34-17-19-8-7-9-22(16-19)42(2,40)41/h11-12,14-18,20,22H,3-10,13,19,21H2,1-2H3,(H,36,42)(H2,37,38,39,40);4-10,19,21H,3,11-18,20H2,1-2H3,(H,35,41)(H,36,42)(H2,37,38,39,40);5-10,19H,4,11-18,20H2,1-3H3,(H,35,43)(H,37,44)(H2,38,39,40,41);4,6,8-12,18,20H,3,5,7,13-17,19H2,1-2H3,(H,34,40)(H2,35,36,37,38);9-10,12-16,18,20H,3-8,11,17,19H2,1-2H3,(H,34,40)(H2,35,36,37,38);11-17,19,21H,3-10,18,20H2,1-2H3,(H,34,39)(H2,35,36,37,38);7-13,16,18H,3-6,14-15,17H2,1-2H3,(H,32,38)(H,33,39)(H2,34,35,36,37).
What are the key properties of N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide?
N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide has a molecular weight of 4556.10 g/mol, XLogP of 35.87, 123 rotatable bonds, 24 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide is sourced from PubChem (CID 163891494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).