3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide

C175H156F24N28O28S — CID 159252762

IUPAC3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCC(C)CN1CCN(CCOc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C(C)=O)s1.COc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(O)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCOCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCO)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OCCCCCO)c(-c2cncnc2)c1
InChIInChI=1S/C28H32F3N5O3.C24H23F3N4O4.C24H23F3N4O3.C22H21F3N4O4.C21H16F3NO4S.C20H16F3N3O4.C18H13F3N4O3.C18H12F3N3O3/c1-20(2)18-36-11-9-35(10-12-36)13-14-38-26-8-3-21(15-25(26)22-16-32-19-33-17-22)27(37)34-23-4-6-24(7-5-23)39-28(29,30)31;25-24(26,27)35-20-4-2-19(3-5-20)30-23(32)17-1-6-22(21(13-17)18-14-28-16-29-15-18)34-12-9-31-7-10-33-11-8-31;25-24(26,27)34-20-6-4-19(5-7-20)30-23(32)17-3-8-22(33-12-11-31-9-1-2-10-31)21(13-17)18-14-28-16-29-15-18;23-22(24,25)33-18-6-4-17(5-7-18)29-20(31)15-10-19(16-11-26-14-27-12-16)21(28-13-15)32-9-3-1-2-8-30;1-12(26)18-9-10-19(30-18)16-11-13(3-8-17(16)28-2)20(27)25-14-4-6-15(7-5-14)29-21(22,23)24;21-20(22,23)30-16-4-2-15(3-5-16)26-19(28)13-1-6-18(29-8-7-27)17(9-13)14-10-24-12-25-11-14;1-27-17-15(12-7-22-10-23-8-12)6-11(9-24-17)16(26)25-13-2-4-14(5-3-13)28-18(19,20)21;19-18(20,21)27-14-4-2-13(3-5-14)24-17(26)11-1-6-16(25)15(7-11)12-8-22-10-23-9-12/h3-8,15-17,19-20H,9-14,18H2,1-2H3,(H,34,37);1-6,13-16H,7-12H2,(H,30,32);3-8,13-16H,1-2,9-12H2,(H,30,32);4-7,10-14,30H,1-3,8-9H2,(H,29,31);3-11H,1-2H3,(H,25,27);1-6,9-12,27H,7-8H2,(H,26,28);2-10H,1H3,(H,25,26);1-10,25H,(H,24,26)
InChIKeyKVMXSLGEUSWWEV-UHFFFAOYSA-N
MW3587.36 g/mol
LogP35.09
Rot. Bonds58

About 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide

3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 159252762) has the molecular formula C175H156F24N28O28S and a molecular weight of 3587.36 g/mol. Its IUPAC name is 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID159252762
Molecular FormulaC175H156F24N28O28S
Molecular Weight3587.36 g/mol
Exact Mass3585.10
IUPAC Name3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCC(C)CN1CCN(CCOc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C(C)=O)s1.COc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(O)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCOCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCO)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OCCCCCO)c(-c2cncnc2)c1
InChIInChI=1S/C28H32F3N5O3.C24H23F3N4O4.C24H23F3N4O3.C22H21F3N4O4.C21H16F3NO4S.C20H16F3N3O4.C18H13F3N4O3.C18H12F3N3O3/c1-20(2)18-36-11-9-35(10-12-36)13-14-38-26-8-3-21(15-25(26)22-16-32-19-33-17-22)27(37)34-23-4-6-24(7-5-23)39-28(29,30)31;25-24(26,27)35-20-4-2-19(3-5-20)30-23(32)17-1-6-22(21(13-17)18-14-28-16-29-15-18)34-12-9-31-7-10-33-11-8-31;25-24(26,27)34-20-6-4-19(5-7-20)30-23(32)17-3-8-22(33-12-11-31-9-1-2-10-31)21(13-17)18-14-28-16-29-15-18;23-22(24,25)33-18-6-4-17(5-7-18)29-20(31)15-10-19(16-11-26-14-27-12-16)21(28-13-15)32-9-3-1-2-8-30;1-12(26)18-9-10-19(30-18)16-11-13(3-8-17(16)28-2)20(27)25-14-4-6-15(7-5-14)29-21(22,23)24;21-20(22,23)30-16-4-2-15(3-5-16)26-19(28)13-1-6-18(29-8-7-27)17(9-13)14-10-24-12-25-11-14;1-27-17-15(12-7-22-10-23-8-12)6-11(9-24-17)16(26)25-13-2-4-14(5-3-13)28-18(19,20)21;19-18(20,21)27-14-4-2-13(3-5-14)24-17(26)11-1-6-16(25)15(7-11)12-8-22-10-23-9-12/h3-8,15-17,19-20H,9-14,18H2,1-2H3,(H,34,37);1-6,13-16H,7-12H2,(H,30,32);3-8,13-16H,1-2,9-12H2,(H,30,32);4-7,10-14,30H,1-3,8-9H2,(H,29,31);3-11H,1-2H3,(H,25,27);1-6,9-12,27H,7-8H2,(H,26,28);2-10H,1H3,(H,25,26);1-10,25H,(H,24,26)
InChIKeyKVMXSLGEUSWWEV-UHFFFAOYSA-N
XLogP35.09
TPSA677.44 Ų
H-Bond Donors11
H-Bond Acceptors49
Rotatable Bonds58
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003587.36
LogP ≤ 535.09
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

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Related Compounds

3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 157983494
6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 159015053
4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 159238704
6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 160521268
3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(1,3-benzodioxol-5-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(6-fluoro-3-pyridinyl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 161148217

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 159252762) is 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide is CC(C)CN1CCN(CCOc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C(C)=O)s1.COc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(O)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCOCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCO)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OCCCCCO)c(-c2cncnc2)c1.
What is the InChIKey of 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is KVMXSLGEUSWWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O3.C24H23F3N4O4.C24H23F3N4O3.C22H21F3N4O4.C21H16F3NO4S.C20H16F3N3O4.C18H13F3N4O3.C18H12F3N3O3/c1-20(2)18-36-11-9-35(10-12-36)13-14-38-26-8-3-21(15-25(26)22-16-32-19-33-17-22)27(37)34-23-4-6-24(7-5-23)39-28(29,30)31;25-24(26,27)35-20-4-2-19(3-5-20)30-23(32)17-1-6-22(21(13-17)18-14-28-16-29-15-18)34-12-9-31-7-10-33-11-8-31;25-24(26,27)34-20-6-4-19(5-7-20)30-23(32)17-3-8-22(33-12-11-31-9-1-2-10-31)21(13-17)18-14-28-16-29-15-18;23-22(24,25)33-18-6-4-17(5-7-18)29-20(31)15-10-19(16-11-26-14-27-12-16)21(28-13-15)32-9-3-1-2-8-30;1-12(26)18-9-10-19(30-18)16-11-13(3-8-17(16)28-2)20(27)25-14-4-6-15(7-5-14)29-21(22,23)24;21-20(22,23)30-16-4-2-15(3-5-16)26-19(28)13-1-6-18(29-8-7-27)17(9-13)14-10-24-12-25-11-14;1-27-17-15(12-7-22-10-23-8-12)6-11(9-24-17)16(26)25-13-2-4-14(5-3-13)28-18(19,20)21;19-18(20,21)27-14-4-2-13(3-5-14)24-17(26)11-1-6-16(25)15(7-11)12-8-22-10-23-9-12/h3-8,15-17,19-20H,9-14,18H2,1-2H3,(H,34,37);1-6,13-16H,7-12H2,(H,30,32);3-8,13-16H,1-2,9-12H2,(H,30,32);4-7,10-14,30H,1-3,8-9H2,(H,29,31);3-11H,1-2H3,(H,25,27);1-6,9-12,27H,7-8H2,(H,26,28);2-10H,1H3,(H,25,26);1-10,25H,(H,24,26).
What are the key properties of 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 3587.36 g/mol, XLogP of 35.09, 58 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetylthiophen-2-yl)-4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-hydroxyethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-methoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(2-morpholin-4-ylethoxy)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 159252762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).