2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C71H81F9N10O9S2 — CID 161172788

IUPAC2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCCCc1nccc(SC)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccncc1.CCOc1ccsc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CCOc1ncnc(OCCN(C)C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N4O3.C19H21F3N2OS.C18H23N3O3.C15H14F3NO2S/c1-5-28-17-15(18(24-11-23-17)29-9-8-26(3)4)16(27)25-13-7-6-12(2)14(10-13)19(20,21)22;1-4-5-6-15-17(16(26-3)9-10-23-15)18(25)24-13-8-7-12(2)14(11-13)19(20,21)22;1-4-23-15-6-5-7-16(24-13-12-21(2)3)17(15)18(22)20-14-8-10-19-11-9-14;1-3-21-12-6-7-22-13(12)14(20)19-10-5-4-9(2)11(8-10)15(16,17)18/h6-7,10-11H,5,8-9H2,1-4H3,(H,25,27);7-11H,4-6H2,1-3H3,(H,24,25);5-11H,4,12-13H2,1-3H3,(H,19,20,22);4-8H,3H2,1-2H3,(H,19,20)
InChIKeyURKHPXFZVPLWSO-UHFFFAOYSA-N
MW1453.61 g/mol
LogP16.52
Rot. Bonds26

About 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 161172788) has the molecular formula C71H81F9N10O9S2 and a molecular weight of 1453.61 g/mol. Its IUPAC name is 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID161172788
Molecular FormulaC71H81F9N10O9S2
Molecular Weight1453.61 g/mol
Exact Mass1452.55
IUPAC Name2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCCCc1nccc(SC)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccncc1.CCOc1ccsc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CCOc1ncnc(OCCN(C)C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N4O3.C19H21F3N2OS.C18H23N3O3.C15H14F3NO2S/c1-5-28-17-15(18(24-11-23-17)29-9-8-26(3)4)16(27)25-13-7-6-12(2)14(10-13)19(20,21)22;1-4-5-6-15-17(16(26-3)9-10-23-15)18(25)24-13-8-7-12(2)14(11-13)19(20,21)22;1-4-23-15-6-5-7-16(24-13-12-21(2)3)17(15)18(22)20-14-8-10-19-11-9-14;1-3-21-12-6-7-22-13(12)14(20)19-10-5-4-9(2)11(8-10)15(16,17)18/h6-7,10-11H,5,8-9H2,1-4H3,(H,25,27);7-11H,4-6H2,1-3H3,(H,24,25);5-11H,4,12-13H2,1-3H3,(H,19,20,22);4-8H,3H2,1-2H3,(H,19,20)
InChIKeyURKHPXFZVPLWSO-UHFFFAOYSA-N
XLogP16.52
TPSA220.59 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.61
LogP ≤ 516.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-phenylbenzamide;methane
CID 157397638
2-[3-(dimethylamino)propyl]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 154678647
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 161187250
N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide
CID 129087164
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(dimethylamino)propoxy]-6-methylbenzamide
CID 129087176
2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide
CID 176689227
2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 164971040
N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
CID 157101806
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
CID 53246219
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
CID 67981550
[6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate
CID 164745360
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 161172788) is 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CCCCc1nccc(SC)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccncc1.CCOc1ccsc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CCOc1ncnc(OCCN(C)C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is URKHPXFZVPLWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3.C19H21F3N2OS.C18H23N3O3.C15H14F3NO2S/c1-5-28-17-15(18(24-11-23-17)29-9-8-26(3)4)16(27)25-13-7-6-12(2)14(10-13)19(20,21)22;1-4-5-6-15-17(16(26-3)9-10-23-15)18(25)24-13-8-7-12(2)14(11-13)19(20,21)22;1-4-23-15-6-5-7-16(24-13-12-21(2)3)17(15)18(22)20-14-8-10-19-11-9-14;1-3-21-12-6-7-22-13(12)14(20)19-10-5-4-9(2)11(8-10)15(16,17)18/h6-7,10-11H,5,8-9H2,1-4H3,(H,25,27);7-11H,4-6H2,1-3H3,(H,24,25);5-11H,4,12-13H2,1-3H3,(H,19,20,22);4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 1453.61 g/mol, XLogP of 16.52, 26 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 161172788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).