N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide

C118H145F15N24O17S4 — CID 158994466

IUPACN-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESC.CCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(CCc3ccc(C)cc3N(C)S(C)(=O)=O)n2)c(OC)c1.COc1cc(C(=O)NCCN2CCCCC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@H]2CCN(C)C2)c(F)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1
InChIInChI=1S/C31H39F3N6O4S.C30H35F5N6O4S.C28H33F4N7O4S.C28H34F3N5O5S.CH4/c1-21-8-9-22(27(18-21)39(2)45(4,42)43)10-12-25-24(31(32,33)34)20-36-30(37-25)38-26-13-11-23(19-28(26)44-3)29(41)35-14-17-40-15-6-5-7-16-40;1-17-6-7-18(26(12-17)41(3)46(5,43)44)8-9-23-20(30(33,34)35)15-36-29(38-23)39-25-14-21(31)19(13-27(25)45-4)28(42)37-24-10-11-40(2)16-22(24)32;1-16-6-7-17(23(10-16)39(3)44(5,41)42)13-33-25-20(28(30,31)32)14-34-27(37-25)36-22-12-21(29)19(11-24(22)43-4)26(40)35-18-8-9-38(2)15-18;1-6-41-14-13-32-26(37)20-10-12-23(25(16-20)40-4)35-27-33-17-21(28(29,30)31)22(34-27)11-9-19-8-7-18(2)15-24(19)36(3)42(5,38)39;/h8-9,11,13,18-20H,5-7,10,12,14-17H2,1-4H3,(H,35,41)(H,36,37,38);6-7,12-15,22,24H,8-11,16H2,1-5H3,(H,37,42)(H,36,38,39);6-7,10-12,14,18H,8-9,13,15H2,1-5H3,(H,35,40)(H2,33,34,36,37);7-8,10,12,15-17H,6,9,11,13-14H2,1-5H3,(H,32,37)(H,33,34,35);1H4/t;22-,24+;18-;;/m.10../s1
InChIKeyJQOKZYJRBBTFMF-HYVLOUPPSA-N
MW2584.85 g/mol
LogP18.88
Rot. Bonds45

About N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide

N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 158994466) has the molecular formula C118H145F15N24O17S4 and a molecular weight of 2584.85 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID158994466
Molecular FormulaC118H145F15N24O17S4
Molecular Weight2584.85 g/mol
Exact Mass2582.99
IUPAC NameN-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
SMILESC.CCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(CCc3ccc(C)cc3N(C)S(C)(=O)=O)n2)c(OC)c1.COc1cc(C(=O)NCCN2CCCCC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@H]2CCN(C)C2)c(F)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1
InChIInChI=1S/C31H39F3N6O4S.C30H35F5N6O4S.C28H33F4N7O4S.C28H34F3N5O5S.CH4/c1-21-8-9-22(27(18-21)39(2)45(4,42)43)10-12-25-24(31(32,33)34)20-36-30(37-25)38-26-13-11-23(19-28(26)44-3)29(41)35-14-17-40-15-6-5-7-16-40;1-17-6-7-18(26(12-17)41(3)46(5,43)44)8-9-23-20(30(33,34)35)15-36-29(38-23)39-25-14-21(31)19(13-27(25)45-4)28(42)37-24-10-11-40(2)16-22(24)32;1-16-6-7-17(23(10-16)39(3)44(5,41)42)13-33-25-20(28(30,31)32)14-34-27(37-25)36-22-12-21(29)19(11-24(22)43-4)26(40)35-18-8-9-38(2)15-18;1-6-41-14-13-32-26(37)20-10-12-23(25(16-20)40-4)35-27-33-17-21(28(29,30)31)22(34-27)11-9-19-8-7-18(2)15-24(19)36(3)42(5,38)39;/h8-9,11,13,18-20H,5-7,10,12,14-17H2,1-4H3,(H,35,41)(H,36,37,38);6-7,12-15,22,24H,8-11,16H2,1-5H3,(H,37,42)(H,36,38,39);6-7,10-12,14,18H,8-9,13,15H2,1-5H3,(H,35,40)(H2,33,34,36,37);7-8,10,12,15-17H,6,9,11,13-14H2,1-5H3,(H,32,37)(H,33,34,35);1H4/t;22-,24+;18-;;/m.10../s1
InChIKeyJQOKZYJRBBTFMF-HYVLOUPPSA-N
XLogP18.88
TPSA485.06 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds45
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002584.85
LogP ≤ 518.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide with MolForge

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Related Compounds

US20250127800, Example 1
CID 169717267
US20250127800, Example 2
CID 169718064
US20250127800, Example 3
CID 169929103
US20250127800, Example 4
CID 169929106
US20250127800, Example 5
CID 169929108
formic acid;3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 171352183
N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 46191767
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(oxan-4-yl)benzamide
CID 46201775
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(oxolan-3-yl)benzamide
CID 46202120
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46202451
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 46202778
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 46202780

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide (CID 158994466) is N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide is C.CCOCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(CCc3ccc(C)cc3N(C)S(C)(=O)=O)n2)c(OC)c1.COc1cc(C(=O)NCCN2CCCCC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@H]2CCN(C)C2)c(F)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is JQOKZYJRBBTFMF-HYVLOUPPSA-N. The full InChI is InChI=1S/C31H39F3N6O4S.C30H35F5N6O4S.C28H33F4N7O4S.C28H34F3N5O5S.CH4/c1-21-8-9-22(27(18-21)39(2)45(4,42)43)10-12-25-24(31(32,33)34)20-36-30(37-25)38-26-13-11-23(19-28(26)44-3)29(41)35-14-17-40-15-6-5-7-16-40;1-17-6-7-18(26(12-17)41(3)46(5,43)44)8-9-23-20(30(33,34)35)15-36-29(38-23)39-25-14-21(31)19(13-27(25)45-4)28(42)37-24-10-11-40(2)16-22(24)32;1-16-6-7-17(23(10-16)39(3)44(5,41)42)13-33-25-20(28(30,31)32)14-34-27(37-25)36-22-12-21(29)19(11-24(22)43-4)26(40)35-18-8-9-38(2)15-18;1-6-41-14-13-32-26(37)20-10-12-23(25(16-20)40-4)35-27-33-17-21(28(29,30)31)22(34-27)11-9-19-8-7-18(2)15-24(19)36(3)42(5,38)39;/h8-9,11,13,18-20H,5-7,10,12,14-17H2,1-4H3,(H,35,41)(H,36,37,38);6-7,12-15,22,24H,8-11,16H2,1-5H3,(H,37,42)(H,36,38,39);6-7,10-12,14,18H,8-9,13,15H2,1-5H3,(H,35,40)(H2,33,34,36,37);7-8,10,12,15-17H,6,9,11,13-14H2,1-5H3,(H,32,37)(H,33,34,35);1H4/t;22-,24+;18-;;/m.10../s1.
What are the key properties of N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide?
N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 2584.85 g/mol, XLogP of 18.88, 45 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;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;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 158994466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).