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

C96H115ClF7N11O16S4 — CID 159075209

IUPAC4-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
SMILESC.C.C.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.CC(C)(C)c1ccc(C(=O)Nc2cncc(S(C)(=O)=O)c2)c(Oc2cccc(C(F)(F)F)n2)c1.Cc1ncccc1Oc1cc(C(C)(C)C)ccc1C(=O)Nc1cncc(S(C)(=O)=O)c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22ClFN2O4S.2C23H22F3N3O4S.C23H25N3O4S.4CH4.4H2/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;1-22(2,3)14-8-9-17(21(30)28-15-11-16(13-27-12-15)34(4,31)32)18(10-14)33-20-7-5-6-19(29-20)23(24,25)26;1-15-20(7-6-10-25-15)30-21-11-16(23(2,3)4)8-9-19(21)22(27)26-17-12-18(14-24-13-17)31(5,28)29;;;;;;;;/h5-13H,1-4H3,(H,27,28);5-13H,1-4H3,(H,29,30);5-13H,1-4H3,(H,28,30);6-14H,1-5H3,(H,26,27);4*1H4;4*1H
InChIKeyKADYACXACATCPN-UHFFFAOYSA-N
MW1975.74 g/mol
LogP24.16
Rot. Bonds20

About 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

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 (PubChem CID 159075209) has the molecular formula C96H115ClF7N11O16S4 and a molecular weight of 1975.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159075209
Molecular FormulaC96H115ClF7N11O16S4
Molecular Weight1975.74 g/mol
Exact Mass1973.70
IUPAC Name4-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
SMILESC.C.C.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.CC(C)(C)c1ccc(C(=O)Nc2cncc(S(C)(=O)=O)c2)c(Oc2cccc(C(F)(F)F)n2)c1.Cc1ncccc1Oc1cc(C(C)(C)C)ccc1C(=O)Nc1cncc(S(C)(=O)=O)c1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22ClFN2O4S.2C23H22F3N3O4S.C23H25N3O4S.4CH4.4H2/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;1-22(2,3)14-8-9-17(21(30)28-15-11-16(13-27-12-15)34(4,31)32)18(10-14)33-20-7-5-6-19(29-20)23(24,25)26;1-15-20(7-6-10-25-15)30-21-11-16(23(2,3)4)8-9-19(21)22(27)26-17-12-18(14-24-13-17)31(5,28)29;;;;;;;;/h5-13H,1-4H3,(H,27,28);5-13H,1-4H3,(H,29,30);5-13H,1-4H3,(H,28,30);6-14H,1-5H3,(H,26,27);4*1H4;4*1H
InChIKeyKADYACXACATCPN-UHFFFAOYSA-N
XLogP24.16
TPSA380.11 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001975.74
LogP ≤ 524.16
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-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 with MolForge

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Related Compounds

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
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-[(2-chlorophenoxy)methyl]-3-methoxyphenyl]-(4-methylpiperidin-1-yl)methanone;[5-[(2-chlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[4-[(2-chlorophenyl)sulfinylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(2-chlorophenyl)sulfonylmethyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-chloro-2-pyridinyl)oxymethyl]-3-methoxyphenyl]-piperidin-1-ylmethanone;N-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-methoxybenzamide;2-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide;N-(2-methoxyphenyl)-N-methyl-4-(piperidine-1-carbonyl)benzamide
CID 167604761

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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.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.CC(C)(C)c1ccc(C(=O)Nc2cncc(S(C)(=O)=O)c2)c(Oc2cccc(C(F)(F)F)n2)c1.Cc1ncccc1Oc1cc(C(C)(C)C)ccc1C(=O)Nc1cncc(S(C)(=O)=O)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-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?
The InChIKey is KADYACXACATCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O4S.2C23H22F3N3O4S.C23H25N3O4S.4CH4.4H2/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;1-22(2,3)14-8-9-17(21(30)28-15-11-16(13-27-12-15)34(4,31)32)18(10-14)33-20-7-5-6-19(29-20)23(24,25)26;1-15-20(7-6-10-25-15)30-21-11-16(23(2,3)4)8-9-19(21)22(27)26-17-12-18(14-24-13-17)31(5,28)29;;;;;;;;/h5-13H,1-4H3,(H,27,28);5-13H,1-4H3,(H,29,30);5-13H,1-4H3,(H,28,30);6-14H,1-5H3,(H,26,27);4*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-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?
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 has a molecular weight of 1975.74 g/mol, XLogP of 24.16, 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-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 is sourced from PubChem (CID 159075209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).