2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide

C11H11NO4S — CID 70832691

IUPAC2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide
SMILESCS(=O)(=O)c1ccc2occ(CC(N)=O)c2c1
InChIInChI=1S/C11H11NO4S/c1-17(14,15)8-2-3-10-9(5-8)7(6-16-10)4-11(12)13/h2-3,5-6H,4H2,1H3,(H2,12,13)
InChIKeyZKBSFQNMLBIBDU-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.86
Rot. Bonds3

About 2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide

2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide (PubChem CID 70832691) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide
PubChem CID70832691
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide
SMILESCS(=O)(=O)c1ccc2occ(CC(N)=O)c2c1
InChIInChI=1S/C11H11NO4S/c1-17(14,15)8-2-3-10-9(5-8)7(6-16-10)4-11(12)13/h2-3,5-6H,4H2,1H3,(H2,12,13)
InChIKeyZKBSFQNMLBIBDU-UHFFFAOYSA-N
XLogP0.86
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of 2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide (CID 70832691) is 2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for 2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide is CS(=O)(=O)c1ccc2occ(CC(N)=O)c2c1.
What is the InChIKey of 2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide?
The InChIKey is ZKBSFQNMLBIBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-17(14,15)8-2-3-10-9(5-8)7(6-16-10)4-11(12)13/h2-3,5-6H,4H2,1H3,(H2,12,13).
What are the key properties of 2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide?
2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide has a molecular weight of 253.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfonyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 70832691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).