2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile

C163H182F3N23O23S3 — CID 158380378

About 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile

2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile (PubChem CID 158380378) has the molecular formula C163H182F3N23O23S3 and a molecular weight of 2984.58 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

• Compound Name: 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile
• PubChem CID: 158380378
• Molecular Formula: C163H182F3N23O23S3
• Molecular Weight: 2984.58 g/mol
• Exact Mass: 2982.29
• IUPAC Name: 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile
• SMILES: CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C)c(-c2cnc(OCC)c(N3CCOCC3)c2)c1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(C(C)(C)C#N)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(S(C)(=O)=O)c3)ccc2C)cc1N1CCOCC1.[H]N=S(C)(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.[H]N=S(C)(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1
• InChI: InChI=1S/C29H32N4O3.C28H30F3N3O4.C28H31N5O3.2C26H30N4O4S.C26H29N3O5S/c1-5-36-28-25(33-10-12-35-13-11-33)17-23(18-32-28)24-16-22(7-6-20(24)2)26(34)14-21-8-9-31-27(15-21)29(3,4)19-30;1-4-37-25-9-7-20(28(29,30)31)15-23(25)26(35)33-21-8-6-18(3)22(16-21)19-14-24(27(32-17-19)38-5-2)34-10-12-36-13-11-34;1-5-36-27-24(33-8-10-35-11-9-33)15-21(16-32-27)23-14-22(17-31-19(23)2)25(34)12-20-6-7-30-26(13-20)28(3,4)18-29;2*1-4-34-26-24(30-10-12-33-13-11-30)15-20(17-28-26)23-16-21(9-8-18(23)2)29-25(31)19-6-5-7-22(14-19)35(3,27)32;1-4-34-26-23(29-9-11-33-12-10-29)16-21(17-28-26)22-15-20(6-5-18(22)2)24(30)13-19-7-8-27-25(14-19)35(3,31)32/h6-9,15-18H,5,10-14H2,1-4H3;6-9,14-17H,4-5,10-13H2,1-3H3,(H,33,35);6-7,13-17H,5,8-12H2,1-4H3;2*5-9,14-17,27H,4,10-13H2,1-3H3,(H,29,31);5-8,14-17H,4,9-13H2,1-3H3
• InChIKey: GVSFZITYOPWFPW-UHFFFAOYSA-N
• XLogP: 27.86
• TPSA: 570.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 46
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2984.58
LogP ≤ 5	27.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile?

The IUPAC name of 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile (CID 158380378) is 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile.

What is the SMILES notation for 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile?

The canonical SMILES for 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile is CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C)c(-c2cnc(OCC)c(N3CCOCC3)c2)c1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(C(C)(C)C#N)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3ccnc(S(C)(=O)=O)c3)ccc2C)cc1N1CCOCC1.[H]N=S(C)(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.[H]N=S(C)(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.

What is the InChIKey of 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile?

The InChIKey is GVSFZITYOPWFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3.C28H30F3N3O4.C28H31N5O3.2C26H30N4O4S.C26H29N3O5S/c1-5-36-28-25(33-10-12-35-13-11-33)17-23(18-32-28)24-16-22(7-6-20(24)2)26(34)14-21-8-9-31-27(15-21)29(3,4)19-30;1-4-37-25-9-7-20(28(29,30)31)15-23(25)26(35)33-21-8-6-18(3)22(16-21)19-14-24(27(32-17-19)38-5-2)34-10-12-36-13-11-34;1-5-36-27-24(33-8-10-35-11-9-33)15-21(16-32-27)23-14-22(17-31-19(23)2)25(34)12-20-6-7-30-26(13-20)28(3,4)18-29;2*1-4-34-26-24(30-10-12-33-13-11-30)15-20(17-28-26)23-16-21(9-8-18(23)2)29-25(31)19-6-5-7-22(14-19)35(3,27)32;1-4-34-26-23(29-9-11-33-12-10-29)16-21(17-28-26)22-15-20(6-5-18(22)2)24(30)13-19-7-8-27-25(14-19)35(3,31)32/h6-9,15-18H,5,10-14H2,1-4H3;6-9,14-17H,4-5,10-13H2,1-3H3,(H,33,35);6-7,13-17H,5,8-12H2,1-4H3;2*5-9,14-17,27H,4,10-13H2,1-3H3,(H,29,31);5-8,14-17H,4,9-13H2,1-3H3.

What are the key properties of 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile?

2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile has a molecular weight of 2984.58 g/mol, XLogP of 27.86, 46 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;bis(N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(methylsulfonimidoyl)benzamide);1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone;2-[4-[2-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[2-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 158380378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).