2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide

C20H19F6NO4S — CID 91933909

IUPAC2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H19F6NO4S/c1-3-32(29,30)16-10-4-13(5-11-16)12-17(28)27-15-8-6-14(7-9-15)18(31-2,19(21,22)23)20(24,25)26/h4-11H,3,12H2,1-2H3,(H,27,28)
InChIKeyXCYAYGZSVGESNE-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.63
Rot. Bonds7

About 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide (PubChem CID 91933909) has the molecular formula C20H19F6NO4S and a molecular weight of 483.43 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide
PubChem CID91933909
Molecular FormulaC20H19F6NO4S
Molecular Weight483.43 g/mol
Exact Mass483.09
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H19F6NO4S/c1-3-32(29,30)16-10-4-13(5-11-16)12-17(28)27-15-8-6-14(7-9-15)18(31-2,19(21,22)23)20(24,25)26/h4-11H,3,12H2,1-2H3,(H,27,28)
InChIKeyXCYAYGZSVGESNE-UHFFFAOYSA-N
XLogP4.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide with MolForge

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]acetamide
CID 138105957
ROR agonist-1
CID 138454290
(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide
CID 162678561
4-(Propylsulfonyl)benzyl 4-(acetylamino)benzoate
CID 1300264
2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71283714
2-(4-ethylsulfonylphenyl)-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71283798
2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide
CID 118395885
2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]acetamide
CID 118395947
2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]acetamide
CID 122187581
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 141761792
Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate
CID 2192043
Ethyl 2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
CID 145992194

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide (CID 91933909) is 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide?
The InChIKey is XCYAYGZSVGESNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO4S/c1-3-32(29,30)16-10-4-13(5-11-16)12-17(28)27-15-8-6-14(7-9-15)18(31-2,19(21,22)23)20(24,25)26/h4-11H,3,12H2,1-2H3,(H,27,28).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide has a molecular weight of 483.43 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide is sourced from PubChem (CID 91933909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).