2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide

C14H19NO4S — CID 4069396

IUPAC2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H19NO4S/c1-20(17,18)13-6-4-11(5-7-13)9-14(16)15-10-12-3-2-8-19-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyZBJJXNPBAURQPH-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.93
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide

2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4069396) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4069396
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H19NO4S/c1-20(17,18)13-6-4-11(5-7-13)9-14(16)15-10-12-3-2-8-19-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyZBJJXNPBAURQPH-UHFFFAOYSA-N
XLogP0.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 4069396) is 2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ZBJJXNPBAURQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-20(17,18)13-6-4-11(5-7-13)9-14(16)15-10-12-3-2-8-19-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of 2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4069396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).