4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide

C22H25F3N2O5S — CID 46644366

IUPAC4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C22H25F3N2O5S/c1-14-7-3-4-8-16(14)27-33(29,30)20-13-15(11-12-19(20)31-2)21(28)26-17-9-5-6-10-18(17)32-22(23,24)25/h5-6,9-14,16,27H,3-4,7-8H2,1-2H3,(H,26,28)
InChIKeyLUIPPSIGBOZBFV-UHFFFAOYSA-N
MW486.51 g/mol
LogP4.70
Rot. Bonds7

About 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide

4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 46644366) has the molecular formula C22H25F3N2O5S and a molecular weight of 486.51 g/mol. Its IUPAC name is 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID46644366
Molecular FormulaC22H25F3N2O5S
Molecular Weight486.51 g/mol
Exact Mass486.14
IUPAC Name4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C22H25F3N2O5S/c1-14-7-3-4-8-16(14)27-33(29,30)20-13-15(11-12-19(20)31-2)21(28)26-17-9-5-6-10-18(17)32-22(23,24)25/h5-6,9-14,16,27H,3-4,7-8H2,1-2H3,(H,26,28)
InChIKeyLUIPPSIGBOZBFV-UHFFFAOYSA-N
XLogP4.70
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 2565157
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 43012308
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 27298305
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 16552462
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 46522904
cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 46644366) is 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1S(=O)(=O)NC1CCCCC1C.
What is the InChIKey of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is LUIPPSIGBOZBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O5S/c1-14-7-3-4-8-16(14)27-33(29,30)20-13-15(11-12-19(20)31-2)21(28)26-17-9-5-6-10-18(17)32-22(23,24)25/h5-6,9-14,16,27H,3-4,7-8H2,1-2H3,(H,26,28).
What are the key properties of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide?
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 486.51 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 46644366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).