N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide

C20H23F3N2O4S — CID 4237463

IUPACN-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
SMILESCCCC(C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H23F3N2O4S/c1-3-5-14(2)24-19(26)13-29-17-8-10-18(11-9-17)30(27,28)25-16-7-4-6-15(12-16)20(21,22)23/h4,6-12,14,25H,3,5,13H2,1-2H3,(H,24,26)
InChIKeyNUCOAEAPTGUOAX-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.19
Rot. Bonds9

About N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide

N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide (PubChem CID 4237463) has the molecular formula C20H23F3N2O4S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
PubChem CID4237463
Molecular FormulaC20H23F3N2O4S
Molecular Weight444.48 g/mol
Exact Mass444.13
IUPAC NameN-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
SMILESCCCC(C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H23F3N2O4S/c1-3-5-14(2)24-19(26)13-29-17-8-10-18(11-9-17)30(27,28)25-16-7-4-6-15(12-16)20(21,22)23/h4,6-12,14,25H,3,5,13H2,1-2H3,(H,24,26)
InChIKeyNUCOAEAPTGUOAX-UHFFFAOYSA-N
XLogP4.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.19
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-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 100800861
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
2-chloro-N-pentan-2-yl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 43019696
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126153530
2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 4801122
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247756
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247757
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-butan-2-yl-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4650305

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide (CID 4237463) is N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide is CCCC(C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is NUCOAEAPTGUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4S/c1-3-5-14(2)24-19(26)13-29-17-8-10-18(11-9-17)30(27,28)25-16-7-4-6-15(12-16)20(21,22)23/h4,6-12,14,25H,3,5,13H2,1-2H3,(H,24,26).
What are the key properties of N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide?
N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 444.48 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 4237463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).