2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide

C22H21NO3S — CID 122187579

IUPAC2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO3S/c1-2-27(25,26)21-14-8-17(9-15-21)16-22(24)23-20-12-10-19(11-13-20)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,23,24)
InChIKeyUXUPBUCXNCYZRD-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.33
Rot. Bonds6

About 2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide

2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide (PubChem CID 122187579) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide
PubChem CID122187579
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO3S/c1-2-27(25,26)21-14-8-17(9-15-21)16-22(24)23-20-12-10-19(11-13-20)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,23,24)
InChIKeyUXUPBUCXNCYZRD-UHFFFAOYSA-N
XLogP4.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide (CID 122187579) is 2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide?
The InChIKey is UXUPBUCXNCYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-2-27(25,26)21-14-8-17(9-15-21)16-22(24)23-20-12-10-19(11-13-20)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,23,24).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide?
2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide has a molecular weight of 379.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 122187579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).