N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide

C23H21F3N2O4S — CID 4241232

IUPACN-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C
InChIInChI=1S/C23H21F3N2O4S/c1-15-6-7-18(12-16(15)2)27-22(29)14-32-20-8-10-21(11-9-20)33(30,31)28-19-5-3-4-17(13-19)23(24,25)26/h3-13,28H,14H2,1-2H3,(H,27,29)
InChIKeyWBNSYNRXLAXSOZ-UHFFFAOYSA-N
MW478.49 g/mol
LogP5.14
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide

N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide (PubChem CID 4241232) has the molecular formula C23H21F3N2O4S and a molecular weight of 478.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
PubChem CID4241232
Molecular FormulaC23H21F3N2O4S
Molecular Weight478.49 g/mol
Exact Mass478.12
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C
InChIInChI=1S/C23H21F3N2O4S/c1-15-6-7-18(12-16(15)2)27-22(29)14-32-20-8-10-21(11-9-20)33(30,31)28-19-5-3-4-17(13-19)23(24,25)26/h3-13,28H,14H2,1-2H3,(H,27,29)
InChIKeyWBNSYNRXLAXSOZ-UHFFFAOYSA-N
XLogP5.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.49
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 4801122
N-(3,4-difluorophenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553221
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126393350
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 100800861
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 4015513
N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4237463
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3906228
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126153530

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide (CID 4241232) is N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is WBNSYNRXLAXSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4S/c1-15-6-7-18(12-16(15)2)27-22(29)14-32-20-8-10-21(11-9-20)33(30,31)28-19-5-3-4-17(13-19)23(24,25)26/h3-13,28H,14H2,1-2H3,(H,27,29).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 478.49 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 4241232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).