2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide

C22H26F3NO4S — CID 122627305

IUPAC2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide
SMILESCCCOC(C)(c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)C(F)(F)F
InChIInChI=1S/C22H26F3NO4S/c1-4-14-30-21(3,22(23,24)25)17-8-10-18(11-9-17)26-20(27)15-16-6-12-19(13-7-16)31(28,29)5-2/h6-13H,4-5,14-15H2,1-3H3,(H,26,27)
InChIKeyNJYAMKAIAJWPBR-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.87
Rot. Bonds9

About 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide (PubChem CID 122627305) has the molecular formula C22H26F3NO4S and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide
PubChem CID122627305
Molecular FormulaC22H26F3NO4S
Molecular Weight457.51 g/mol
Exact Mass457.15
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide
SMILESCCCOC(C)(c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)C(F)(F)F
InChIInChI=1S/C22H26F3NO4S/c1-4-14-30-21(3,22(23,24)25)17-8-10-18(11-9-17)26-20(27)15-16-6-12-19(13-7-16)31(28,29)5-2/h6-13H,4-5,14-15H2,1-3H3,(H,26,27)
InChIKeyNJYAMKAIAJWPBR-UHFFFAOYSA-N
XLogP4.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide (CID 122627305) is 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide is CCCOC(C)(c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide?
The InChIKey is NJYAMKAIAJWPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO4S/c1-4-14-30-21(3,22(23,24)25)17-8-10-18(11-9-17)26-20(27)15-16-6-12-19(13-7-16)31(28,29)5-2/h6-13H,4-5,14-15H2,1-3H3,(H,26,27).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide has a molecular weight of 457.51 g/mol, XLogP of 4.87, 9 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-trifluoro-2-propoxypropan-2-yl)phenyl]acetamide is sourced from PubChem (CID 122627305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).