2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide

C19H23NO3S — CID 155562159

IUPAC2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-4-24(22,23)18-11-5-15(6-12-18)13-19(21)20-17-9-7-16(8-10-17)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyQUBGWHWVNUEIDL-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.78
Rot. Bonds6

About 2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide

2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 155562159) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID155562159
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-4-24(22,23)18-11-5-15(6-12-18)13-19(21)20-17-9-7-16(8-10-17)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21)
InChIKeyQUBGWHWVNUEIDL-UHFFFAOYSA-N
XLogP3.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.78
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-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide (CID 155562159) is 2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is QUBGWHWVNUEIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-4-24(22,23)18-11-5-15(6-12-18)13-19(21)20-17-9-7-16(8-10-17)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide?
2-(4-ethylsulfonylphenyl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.78, 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-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 155562159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).