5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate

C104H119F13N20O20S4 — CID 158400929

About 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate

5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate (PubChem CID 158400929) has the molecular formula C104H119F13N20O20S4 and a molecular weight of 2344.46 g/mol. Its IUPAC name is 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate.

Molecular Properties

• Compound Name: 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate
• PubChem CID: 158400929
• Molecular Formula: C104H119F13N20O20S4
• Molecular Weight: 2344.46 g/mol
• Exact Mass: 2342.76
• IUPAC Name: 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate
• SMILES: COC(=O)Nc1cc(OC)c(Nc2ncc(C(F)(F)F)c(CCc3ccc(C)cc3N(C)S(C)(=O)=O)n2)cc1C.COC(=O)Nc1cc(OC)c(Nc2ncc(C(F)(F)F)c(CCc3ccc(F)cc3N(C)S(C)(=O)=O)n2)cc1C.COC(=O)Nc1cc(OC)c(Nc2ncc(C(F)(F)F)c(CCc3ccc(OC)cc3N(C)S(C)(=O)=O)n2)cc1C.COc1cc(C(=O)N(C)C)c(C)cc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1
• InChI: InChI=1S/C27H32F3N5O4S.C26H30F3N5O6S.C26H30F3N5O5S.C25H27F4N5O5S/c1-16-8-9-18(23(12-16)35(5)40(7,37)38)10-11-21-20(27(28,29)30)15-31-26(32-21)33-22-13-17(2)19(14-24(22)39-6)25(36)34(3)4;1-15-11-21(23(39-4)13-20(15)33-25(35)40-5)32-24-30-14-18(26(27,28)29)19(31-24)10-8-16-7-9-17(38-3)12-22(16)34(2)41(6,36)37;1-15-7-8-17(22(11-15)34(3)40(6,36)37)9-10-19-18(26(27,28)29)14-30-24(31-19)32-21-12-16(2)20(13-23(21)38-4)33-25(35)39-5;1-14-10-20(22(38-3)12-19(14)33-24(35)39-4)32-23-30-13-17(25(27,28)29)18(31-23)9-7-15-6-8-16(26)11-21(15)34(2)40(5,36)37/h8-9,12-15H,10-11H2,1-7H3,(H,31,32,33);7,9,11-14H,8,10H2,1-6H3,(H,33,35)(H,30,31,32);7-8,11-14H,9-10H2,1-6H3,(H,33,35)(H,30,31,32);6,8,10-13H,7,9H2,1-5H3,(H,33,35)(H,30,31,32)
• InChIKey: GYBZRMOBPUOGDT-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 482.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.46
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate?

The IUPAC name of 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate (CID 158400929) is 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate.

What is the SMILES notation for 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate?

The canonical SMILES for 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate is COC(=O)Nc1cc(OC)c(Nc2ncc(C(F)(F)F)c(CCc3ccc(C)cc3N(C)S(C)(=O)=O)n2)cc1C.COC(=O)Nc1cc(OC)c(Nc2ncc(C(F)(F)F)c(CCc3ccc(F)cc3N(C)S(C)(=O)=O)n2)cc1C.COC(=O)Nc1cc(OC)c(Nc2ncc(C(F)(F)F)c(CCc3ccc(OC)cc3N(C)S(C)(=O)=O)n2)cc1C.COc1cc(C(=O)N(C)C)c(C)cc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.

What is the InChIKey of 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate?

The InChIKey is GYBZRMOBPUOGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O4S.C26H30F3N5O6S.C26H30F3N5O5S.C25H27F4N5O5S/c1-16-8-9-18(23(12-16)35(5)40(7,37)38)10-11-21-20(27(28,29)30)15-31-26(32-21)33-22-13-17(2)19(14-24(22)39-6)25(36)34(3)4;1-15-11-21(23(39-4)13-20(15)33-25(35)40-5)32-24-30-14-18(26(27,28)29)19(31-24)10-8-16-7-9-17(38-3)12-22(16)34(2)41(6,36)37;1-15-7-8-17(22(11-15)34(3)40(6,36)37)9-10-19-18(26(27,28)29)14-30-24(31-19)32-21-12-16(2)20(13-23(21)38-4)33-25(35)39-5;1-14-10-20(22(38-3)12-19(14)33-24(35)39-4)32-23-30-13-17(25(27,28)29)18(31-23)9-7-15-6-8-16(26)11-21(15)34(2)40(5,36)37/h8-9,12-15H,10-11H2,1-7H3,(H,31,32,33);7,9,11-14H,8,10H2,1-6H3,(H,33,35)(H,30,31,32);7-8,11-14H,9-10H2,1-6H3,(H,33,35)(H,30,31,32);6,8,10-13H,7,9H2,1-5H3,(H,33,35)(H,30,31,32).

What are the key properties of 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate?

5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate has a molecular weight of 2344.46 g/mol, XLogP of 19.95, 37 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-N,N,2-trimethyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methyl N-[4-[[4-[2-[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]carbamate;methyl N-[5-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-methylphenyl]carbamate;methyl N-[5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 158400929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).