N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide

C145H121F9N24O11S — CID 159698491

About N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide

N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 159698491) has the molecular formula C145H121F9N24O11S and a molecular weight of 2578.77 g/mol. Its IUPAC name is N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
• PubChem CID: 159698491
• Molecular Formula: C145H121F9N24O11S
• Molecular Weight: 2578.77 g/mol
• Exact Mass: 2576.92
• IUPAC Name: N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
• SMILES: C=CC(=O)Cc1ccc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.C=CC(=O)Cc1ccc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F.C=CC(=O)NCc1ccc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F.C=CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1-n1cnc(C)c1.C=CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F
• InChI: InChI=1S/C31H27N7O2.C29H24F3N5O2.C29H23F3N4O2.C28H23F3N4O3S.C28H24N4O2/c1-4-30(39)37-27-10-9-25(16-28(27)38-18-21(3)34-19-38)35-31(40)22-8-7-20(2)24(14-22)15-29-33-13-11-26(36-29)23-6-5-12-32-17-23;1-3-27(38)35-17-20-8-9-23(15-24(20)29(30,31)32)36-28(39)19-7-6-18(2)22(13-19)14-26-34-12-10-25(37-26)21-5-4-11-33-16-21;1-3-24(37)14-19-8-9-23(16-25(19)29(30,31)32)35-28(38)20-7-6-18(2)22(13-20)15-27-34-12-10-26(36-27)21-5-4-11-33-17-21;1-3-39(37,38)17-21-8-9-23(15-24(21)28(29,30)31)34-27(36)19-7-6-18(2)22(13-19)14-26-33-12-10-25(35-26)20-5-4-11-32-16-20;1-3-25(33)15-20-7-10-24(11-8-20)31-28(34)21-9-6-19(2)23(16-21)17-27-30-14-12-26(32-27)22-5-4-13-29-18-22/h4-14,16-19H,1,15H2,2-3H3,(H,35,40)(H,37,39);3-13,15-16H,1,14,17H2,2H3,(H,35,38)(H,36,39);3-13,16-17H,1,14-15H2,2H3,(H,35,38);3-13,15-16H,1,14,17H2,2H3,(H,34,36);3-14,16,18H,1,15,17H2,2H3,(H,31,34)
• InChIKey: MXHZFBIPQAWNPE-UHFFFAOYSA-N
• XLogP: 27.58
• TPSA: 483.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2578.77
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide?

The IUPAC name of N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide (CID 159698491) is N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide.

What is the SMILES notation for N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide?

The canonical SMILES for N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide is C=CC(=O)Cc1ccc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.C=CC(=O)Cc1ccc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F.C=CC(=O)NCc1ccc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F.C=CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1-n1cnc(C)c1.C=CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F.

What is the InChIKey of N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide?

The InChIKey is MXHZFBIPQAWNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N7O2.C29H24F3N5O2.C29H23F3N4O2.C28H23F3N4O3S.C28H24N4O2/c1-4-30(39)37-27-10-9-25(16-28(27)38-18-21(3)34-19-38)35-31(40)22-8-7-20(2)24(14-22)15-29-33-13-11-26(36-29)23-6-5-12-32-17-23;1-3-27(38)35-17-20-8-9-23(15-24(20)29(30,31)32)36-28(39)19-7-6-18(2)22(13-19)14-26-34-12-10-25(37-26)21-5-4-11-33-16-21;1-3-24(37)14-19-8-9-23(16-25(19)29(30,31)32)35-28(38)20-7-6-18(2)22(13-20)15-27-34-12-10-26(36-27)21-5-4-11-33-17-21;1-3-39(37,38)17-21-8-9-23(15-24(21)28(29,30)31)34-27(36)19-7-6-18(2)22(13-19)14-26-33-12-10-25(35-26)20-5-4-11-32-16-20;1-3-25(33)15-20-7-10-24(11-8-20)31-28(34)21-9-6-19(2)23(16-21)17-27-30-14-12-26(32-27)22-5-4-13-29-18-22/h4-14,16-19H,1,15H2,2-3H3,(H,35,40)(H,37,39);3-13,15-16H,1,14,17H2,2H3,(H,35,38)(H,36,39);3-13,16-17H,1,14-15H2,2H3,(H,35,38);3-13,15-16H,1,14,17H2,2H3,(H,34,36);3-14,16,18H,1,15,17H2,2H3,(H,31,34).

What are the key properties of N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide?

N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 2578.77 g/mol, XLogP of 27.58, 40 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 159698491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).