N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane

C130H164F12N24O16S4 — CID 158196503

IUPACN-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane
SMILESC.CCc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCC(NC(C)=O)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCN3CCCC3C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@H]2CCCN(C3CCCC3)C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1
InChIInChI=1S/C34H43F3N6O4S.C32H39F3N6O5S.C32H39F3N6O4S.C31H39F3N6O3S.CH4/c1-22-11-12-23(30(18-22)42(2)48(4,45)46)13-15-28-27(34(35,36)37)20-38-33(40-28)41-29-16-14-24(19-31(29)47-3)32(44)39-25-8-7-17-43(21-25)26-9-5-6-10-26;1-19-6-7-21(28(16-19)41(3)47(5,44)45)8-14-26-25(32(33,34)35)18-36-31(39-26)40-27-15-9-22(17-29(27)46-4)30(43)38-24-12-10-23(11-13-24)37-20(2)42;1-20-7-8-21(28(16-20)40(2)46(4,43)44)9-11-26-25(32(33,34)35)19-36-31(38-26)39-27-12-10-22(17-29(27)45-3)30(42)37-23-13-15-41-14-5-6-24(41)18-23;1-6-21-18-23(29(41)36-24-13-15-39(3)16-14-24)10-11-26(21)37-30-35-19-25(31(32,33)34)27(38-30)12-9-22-8-7-20(2)17-28(22)40(4)44(5,42)43;/h11-12,14,16,18-20,25-26H,5-10,13,15,17,21H2,1-4H3,(H,39,44)(H,38,40,41);6-7,9,15-18,23-24H,8,10-14H2,1-5H3,(H,37,42)(H,38,43)(H,36,39,40);7-8,10,12,16-17,19,23-24H,5-6,9,11,13-15,18H2,1-4H3,(H,37,42)(H,36,38,39);7-8,10-11,17-19,24H,6,9,12-16H2,1-5H3,(H,36,41)(H,35,37,38);1H4/t25-;;;;/m0..../s1
InChIKeyGAKALBNLKZUXHS-OFIHFMIUSA-N
MW2675.14 g/mol
LogP21.63
Rot. Bonds42

About N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane

N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane (PubChem CID 158196503) has the molecular formula C130H164F12N24O16S4 and a molecular weight of 2675.14 g/mol. Its IUPAC name is N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane.

Molecular Properties

Compound NameN-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane
PubChem CID158196503
Molecular FormulaC130H164F12N24O16S4
Molecular Weight2675.14 g/mol
Exact Mass2673.14
IUPAC NameN-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane
SMILESC.CCc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCC(NC(C)=O)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCN3CCCC3C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@H]2CCCN(C3CCCC3)C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1
InChIInChI=1S/C34H43F3N6O4S.C32H39F3N6O5S.C32H39F3N6O4S.C31H39F3N6O3S.CH4/c1-22-11-12-23(30(18-22)42(2)48(4,45)46)13-15-28-27(34(35,36)37)20-38-33(40-28)41-29-16-14-24(19-31(29)47-3)32(44)39-25-8-7-17-43(21-25)26-9-5-6-10-26;1-19-6-7-21(28(16-19)41(3)47(5,44)45)8-14-26-25(32(33,34)35)18-36-31(39-26)40-27-15-9-22(17-29(27)46-4)30(43)38-24-12-10-23(11-13-24)37-20(2)42;1-20-7-8-21(28(16-20)40(2)46(4,43)44)9-11-26-25(32(33,34)35)19-36-31(38-26)39-27-12-10-22(17-29(27)45-3)30(42)37-23-13-15-41-14-5-6-24(41)18-23;1-6-21-18-23(29(41)36-24-13-15-39(3)16-14-24)10-11-26(21)37-30-35-19-25(31(32,33)34)27(38-30)12-9-22-8-7-20(2)17-28(22)40(4)44(5,42)43;/h11-12,14,16,18-20,25-26H,5-10,13,15,17,21H2,1-4H3,(H,39,44)(H,38,40,41);6-7,9,15-18,23-24H,8,10-14H2,1-5H3,(H,37,42)(H,38,43)(H,36,39,40);7-8,10,12,16-17,19,23-24H,5-6,9,11,13-15,18H2,1-4H3,(H,37,42)(H,36,38,39);7-8,10-11,17-19,24H,6,9,12-16H2,1-5H3,(H,36,41)(H,35,37,38);1H4/t25-;;;;/m0..../s1
InChIKeyGAKALBNLKZUXHS-OFIHFMIUSA-N
XLogP21.63
TPSA483.67 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds42
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002675.14
LogP ≤ 521.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane with MolForge

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Related Compounds

3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 46203109
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-3-yl)benzamide
CID 46203110
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 46203112
N-(1-cyclohexylpiperidin-4-yl)-3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 46203733
N-[(3R)-1-ethylpiperidin-3-yl]-3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 46203734
2-fluoro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
CID 46204071
3-methoxy-N-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-5-yl)-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 46204407
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 46204410
2-fluoro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 46205022
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(3R)-1-methylpiperidin-3-yl]benzamide
CID 46205023
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 46205679
N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 46206006

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane?
The IUPAC name of N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane (CID 158196503) is N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane.
What is the SMILES notation for N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane?
The canonical SMILES for N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane is C.CCc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCC(NC(C)=O)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCN3CCCC3C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@H]2CCCN(C3CCCC3)C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane?
The InChIKey is GAKALBNLKZUXHS-OFIHFMIUSA-N. The full InChI is InChI=1S/C34H43F3N6O4S.C32H39F3N6O5S.C32H39F3N6O4S.C31H39F3N6O3S.CH4/c1-22-11-12-23(30(18-22)42(2)48(4,45)46)13-15-28-27(34(35,36)37)20-38-33(40-28)41-29-16-14-24(19-31(29)47-3)32(44)39-25-8-7-17-43(21-25)26-9-5-6-10-26;1-19-6-7-21(28(16-19)41(3)47(5,44)45)8-14-26-25(32(33,34)35)18-36-31(39-26)40-27-15-9-22(17-29(27)46-4)30(43)38-24-12-10-23(11-13-24)37-20(2)42;1-20-7-8-21(28(16-20)40(2)46(4,43)44)9-11-26-25(32(33,34)35)19-36-31(38-26)39-27-12-10-22(17-29(27)45-3)30(42)37-23-13-15-41-14-5-6-24(41)18-23;1-6-21-18-23(29(41)36-24-13-15-39(3)16-14-24)10-11-26(21)37-30-35-19-25(31(32,33)34)27(38-30)12-9-22-8-7-20(2)17-28(22)40(4)44(5,42)43;/h11-12,14,16,18-20,25-26H,5-10,13,15,17,21H2,1-4H3,(H,39,44)(H,38,40,41);6-7,9,15-18,23-24H,8,10-14H2,1-5H3,(H,37,42)(H,38,43)(H,36,39,40);7-8,10,12,16-17,19,23-24H,5-6,9,11,13-15,18H2,1-4H3,(H,37,42)(H,36,38,39);7-8,10-11,17-19,24H,6,9,12-16H2,1-5H3,(H,36,41)(H,35,37,38);1H4/t25-;;;;/m0..../s1.
What are the key properties of N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane?
N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane has a molecular weight of 2675.14 g/mol, XLogP of 21.63, 42 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidocyclohexyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3S)-1-cyclopentylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-ethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;methane is sourced from PubChem (CID 158196503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).