XCYAYGZSVGESNE-UHFFFAOYSA-N

Name: XCYAYGZSVGESNE-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₉F₆NO₄S — CID 91933909

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 XCYAYGZSVGESNE-UHFFFAOYSA-N

XCYAYGZSVGESNE-UHFFFAOYSA-N (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 Name	XCYAYGZSVGESNE-UHFFFAOYSA-N
PubChem CID	91933909
Molecular Formula	C₂₀H₁₉F₆NO₄S
Molecular Weight	483.43 g/mol
Exact Mass	483.09
IUPAC Name	2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide
SMILES	CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChI	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)
InChIKey	XCYAYGZSVGESNE-UHFFFAOYSA-N
XLogP	4.63
TPSA	72.47 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.43
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of XCYAYGZSVGESNE-UHFFFAOYSA-N?

The IUPAC name of XCYAYGZSVGESNE-UHFFFAOYSA-N (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 XCYAYGZSVGESNE-UHFFFAOYSA-N?

The canonical SMILES for XCYAYGZSVGESNE-UHFFFAOYSA-N 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 XCYAYGZSVGESNE-UHFFFAOYSA-N?

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 XCYAYGZSVGESNE-UHFFFAOYSA-N?

XCYAYGZSVGESNE-UHFFFAOYSA-N 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 XCYAYGZSVGESNE-UHFFFAOYSA-N is sourced from PubChem (CID 91933909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 91933909 — identifiers, structure, computed properties (public domain)

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