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

C58H72F6N8O7S — CID 157397638

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-phenylbenzamide;methane
SMILESC.CCCCc1nccc(SC)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccccc1.CCOc1ncnc(OCCN(C)C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N4O3.C19H21F3N2OS.C19H24N2O3.CH4/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;1-4-23-16-11-8-12-17(24-14-13-21(2)3)18(16)19(22)20-15-9-6-5-7-10-15;/h6-7,10-11H,5,8-9H2,1-4H3,(H,25,27);7-11H,4-6H2,1-3H3,(H,24,25);5-12H,4,13-14H2,1-3H3,(H,20,22);1H4
InChIKeyBMTLSDXVEQYXSU-UHFFFAOYSA-N
MW1139.32 g/mol
LogP13.03
Rot. Bonds22

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-phenylbenzamide;methane

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 (PubChem CID 157397638) has the molecular formula C58H72F6N8O7S and a molecular weight of 1139.32 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-phenylbenzamide;methane.

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-phenylbenzamide;methane
PubChem CID157397638
Molecular FormulaC58H72F6N8O7S
Molecular Weight1139.32 g/mol
Exact Mass1138.51
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-phenylbenzamide;methane
SMILESC.CCCCc1nccc(SC)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccccc1.CCOc1ncnc(OCCN(C)C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N4O3.C19H21F3N2OS.C19H24N2O3.CH4/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;1-4-23-16-11-8-12-17(24-14-13-21(2)3)18(16)19(22)20-15-9-6-5-7-10-15;/h6-7,10-11H,5,8-9H2,1-4H3,(H,25,27);7-11H,4-6H2,1-3H3,(H,24,25);5-12H,4,13-14H2,1-3H3,(H,20,22);1H4
InChIKeyBMTLSDXVEQYXSU-UHFFFAOYSA-N
XLogP13.03
TPSA169.37 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001139.32
LogP ≤ 513.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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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-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 161172788
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-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
CID 53246219
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
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
[6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate
CID 164745360
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
CID 67981550

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-phenylbenzamide;methane?
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-phenylbenzamide;methane (CID 157397638) 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-phenylbenzamide;methane.
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-phenylbenzamide;methane?
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-phenylbenzamide;methane is C.CCCCc1nccc(SC)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.CCOc1cccc(OCCN(C)C)c1C(=O)Nc1ccccc1.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-phenylbenzamide;methane?
The InChIKey is BMTLSDXVEQYXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3.C19H21F3N2OS.C19H24N2O3.CH4/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;1-4-23-16-11-8-12-17(24-14-13-21(2)3)18(16)19(22)20-15-9-6-5-7-10-15;/h6-7,10-11H,5,8-9H2,1-4H3,(H,25,27);7-11H,4-6H2,1-3H3,(H,24,25);5-12H,4,13-14H2,1-3H3,(H,20,22);1H4.
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-phenylbenzamide;methane?
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 has a molecular weight of 1139.32 g/mol, XLogP of 13.03, 22 rotatable bonds, 3 hydrogen bond donors, and 13 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-phenylbenzamide;methane is sourced from PubChem (CID 157397638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).