2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide

C25H27NO3S — CID 118707356

IUPAC2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(C(C)C)c2)cc1
InChIInChI=1S/C25H27NO3S/c1-4-30(28,29)22-13-10-19(11-14-22)16-25(27)26-21-12-15-23(24(17-21)18(2)3)20-8-6-5-7-9-20/h5-15,17-18H,4,16H2,1-3H3,(H,26,27)
InChIKeyMUDTVDFCGYCKCE-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.45
Rot. Bonds7

About 2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide

2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide (PubChem CID 118707356) has the molecular formula C25H27NO3S and a molecular weight of 421.56 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide
PubChem CID118707356
Molecular FormulaC25H27NO3S
Molecular Weight421.56 g/mol
Exact Mass421.17
IUPAC Name2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(C(C)C)c2)cc1
InChIInChI=1S/C25H27NO3S/c1-4-30(28,29)22-13-10-19(11-14-22)16-25(27)26-21-12-15-23(24(17-21)18(2)3)20-8-6-5-7-9-20/h5-15,17-18H,4,16H2,1-3H3,(H,26,27)
InChIKeyMUDTVDFCGYCKCE-UHFFFAOYSA-N
XLogP5.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.45
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-phenyl-3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide (CID 118707356) is 2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(C(C)C)c2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide?
The InChIKey is MUDTVDFCGYCKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3S/c1-4-30(28,29)22-13-10-19(11-14-22)16-25(27)26-21-12-15-23(24(17-21)18(2)3)20-8-6-5-7-9-20/h5-15,17-18H,4,16H2,1-3H3,(H,26,27).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide?
2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide has a molecular weight of 421.56 g/mol, XLogP of 5.45, 7 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-phenyl-3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 118707356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).