4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen

C87H82ClF16N11O16S4 — CID 158069198

IUPAC4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen
SMILESC.CC(C)(C)c1ccc(C(=O)Nc2cncc(S(C)(=O)=O)c2)c(Oc2ccc(C(F)(F)F)nc2)c1.CC(C)(C)c1ccc(C(=O)Nc2cncc(S(C)(=O)=O)c2)c(Oc2ccc(F)cc2Cl)c1.CS(=O)(=O)c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)c1.CS(=O)(=O)c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22ClFN2O4S.C23H22F3N3O4S.2C20H13F6N3O4S.CH4.4H2/c1-23(2,3)14-5-7-18(21(9-14)31-20-8-6-15(25)10-19(20)24)22(28)27-16-11-17(13-26-12-16)32(4,29)30;1-22(2,3)14-5-7-18(21(30)29-15-10-17(13-27-11-15)34(4,31)32)19(9-14)33-16-6-8-20(28-12-16)23(24,25)26;2*1-34(31,32)14-7-12(8-27-10-14)29-18(30)15-4-2-11(19(21,22)23)6-16(15)33-13-3-5-17(28-9-13)20(24,25)26;;;;;/h5-13H,1-4H3,(H,27,28);5-13H,1-4H3,(H,29,30);2*2-10H,1H3,(H,29,30);1H4;4*1H
InChIKeyFLPQFUJRGLUUAK-UHFFFAOYSA-N
MW2005.36 g/mol
LogP22.41
Rot. Bonds20

About 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen

4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen (PubChem CID 158069198) has the molecular formula C87H82ClF16N11O16S4 and a molecular weight of 2005.36 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen.

Molecular Properties

Compound Name4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen
PubChem CID158069198
Molecular FormulaC87H82ClF16N11O16S4
Molecular Weight2005.36 g/mol
Exact Mass2003.43
IUPAC Name4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen
SMILESC.CC(C)(C)c1ccc(C(=O)Nc2cncc(S(C)(=O)=O)c2)c(Oc2ccc(C(F)(F)F)nc2)c1.CC(C)(C)c1ccc(C(=O)Nc2cncc(S(C)(=O)=O)c2)c(Oc2ccc(F)cc2Cl)c1.CS(=O)(=O)c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)c1.CS(=O)(=O)c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22ClFN2O4S.C23H22F3N3O4S.2C20H13F6N3O4S.CH4.4H2/c1-23(2,3)14-5-7-18(21(9-14)31-20-8-6-15(25)10-19(20)24)22(28)27-16-11-17(13-26-12-16)32(4,29)30;1-22(2,3)14-5-7-18(21(30)29-15-10-17(13-27-11-15)34(4,31)32)19(9-14)33-16-6-8-20(28-12-16)23(24,25)26;2*1-34(31,32)14-7-12(8-27-10-14)29-18(30)15-4-2-11(19(21,22)23)6-16(15)33-13-3-5-17(28-9-13)20(24,25)26;;;;;/h5-13H,1-4H3,(H,27,28);5-13H,1-4H3,(H,29,30);2*2-10H,1H3,(H,29,30);1H4;4*1H
InChIKeyFLPQFUJRGLUUAK-UHFFFAOYSA-N
XLogP22.41
TPSA380.11 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002005.36
LogP ≤ 522.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen with MolForge

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Related Compounds

4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide
CID 25260962
4-tert-butyl-N-(5-methylsulfonylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-3-yl]oxybenzamide
CID 25261119
4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-2-[(2-methyl-3-pyridinyl)oxy]-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;molecular hydrogen
CID 159075209
4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;molecular hydrogen
CID 159328885
4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-methylsulfonylphenyl)benzamide;6-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide;2-(dimethylamino)-N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-[3-(dimethylamino)-2-pyridinyl]-3-methoxy-N-(4-methylsulfonylphenyl)benzamide;4-(3-methoxy-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-(4-methylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide
CID 159972225
4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;molecular hydrogen
CID 160592331
4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;molecular hydrogen
CID 158334197
4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;molecular hydrogen
CID 159306896

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen?
The IUPAC name of 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen (CID 158069198) is 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen.
What is the SMILES notation for 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen?
The canonical SMILES for 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen is C.CC(C)(C)c1ccc(C(=O)Nc2cncc(S(C)(=O)=O)c2)c(Oc2ccc(C(F)(F)F)nc2)c1.CC(C)(C)c1ccc(C(=O)Nc2cncc(S(C)(=O)=O)c2)c(Oc2ccc(F)cc2Cl)c1.CS(=O)(=O)c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)c1.CS(=O)(=O)c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)c1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen?
The InChIKey is FLPQFUJRGLUUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O4S.C23H22F3N3O4S.2C20H13F6N3O4S.CH4.4H2/c1-23(2,3)14-5-7-18(21(9-14)31-20-8-6-15(25)10-19(20)24)22(28)27-16-11-17(13-26-12-16)32(4,29)30;1-22(2,3)14-5-7-18(21(30)29-15-10-17(13-27-11-15)34(4,31)32)19(9-14)33-16-6-8-20(28-12-16)23(24,25)26;2*1-34(31,32)14-7-12(8-27-10-14)29-18(30)15-4-2-11(19(21,22)23)6-16(15)33-13-3-5-17(28-9-13)20(24,25)26;;;;;/h5-13H,1-4H3,(H,27,28);5-13H,1-4H3,(H,29,30);2*2-10H,1H3,(H,29,30);1H4;4*1H.
What are the key properties of 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen?
4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen has a molecular weight of 2005.36 g/mol, XLogP of 22.41, 20 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-chloro-4-fluorophenoxy)-N-(5-methylsulfonyl-3-pyridinyl)benzamide;4-tert-butyl-N-(5-methylsulfonyl-3-pyridinyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide;methane;bis(N-(5-methylsulfonyl-3-pyridinyl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide);molecular hydrogen is sourced from PubChem (CID 158069198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).