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

C20H23F3N2O4S — CID 100800861

IUPACN-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
SMILESCC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H23F3N2O4S/c1-19(2,3)13-24-18(26)12-29-16-7-9-17(10-8-16)30(27,28)25-15-6-4-5-14(11-15)20(21,22)23/h4-11,25H,12-13H2,1-3H3,(H,24,26)
InChIKeyLGQWKDQCISMLCY-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.05
Rot. Bonds7

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

N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide (PubChem CID 100800861) has the molecular formula C20H23F3N2O4S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
PubChem CID100800861
Molecular FormulaC20H23F3N2O4S
Molecular Weight444.48 g/mol
Exact Mass444.13
IUPAC NameN-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
SMILESCC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H23F3N2O4S/c1-19(2,3)13-24-18(26)12-29-16-7-9-17(10-8-16)30(27,28)25-15-6-4-5-14(11-15)20(21,22)23/h4-11,25H,12-13H2,1-3H3,(H,24,26)
InChIKeyLGQWKDQCISMLCY-UHFFFAOYSA-N
XLogP4.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.05
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
N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4237463
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100800515
2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 4801122
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873433
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5139046
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087
2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126153530
N-ethyl-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 2223893
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide (CID 100800861) is N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide is CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is LGQWKDQCISMLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4S/c1-19(2,3)13-24-18(26)12-29-16-7-9-17(10-8-16)30(27,28)25-15-6-4-5-14(11-15)20(21,22)23/h4-11,25H,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 444.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 100800861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).