2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide

C13H15NO4S — CID 59555485

IUPAC2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc2occ(CC(N)=O)c2c1
InChIInChI=1S/C13H15NO4S/c1-8(2)19(16,17)10-3-4-12-11(6-10)9(7-18-12)5-13(14)15/h3-4,6-8H,5H2,1-2H3,(H2,14,15)
InChIKeyWLCIDCWVZRBHPG-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.64
Rot. Bonds4

About 2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide

2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide (PubChem CID 59555485) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide
PubChem CID59555485
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc2occ(CC(N)=O)c2c1
InChIInChI=1S/C13H15NO4S/c1-8(2)19(16,17)10-3-4-12-11(6-10)9(7-18-12)5-13(14)15/h3-4,6-8H,5H2,1-2H3,(H2,14,15)
InChIKeyWLCIDCWVZRBHPG-UHFFFAOYSA-N
XLogP1.64
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
2-(3-methyl-1-benzofuran-5-yl)acetamide
CID 20824542
5-fluoro-3-(propan-2-ylsulfonylmethyl)-1-benzofuran
CID 117174223
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 18861075
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
2-(5-chloro-1-benzofuran-3-yl)acetate
CID 9158984
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
2-amino-3-(1-benzofuran-3-yl)propanamide
CID 116850913
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 18861536
methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
CID 84673872
N'-hydroxy-2-(5-methyl-1-benzofuran-3-yl)ethanimidamide
CID 119085603

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of 2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide (CID 59555485) is 2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for 2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide is CC(C)S(=O)(=O)c1ccc2occ(CC(N)=O)c2c1.
What is the InChIKey of 2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide?
The InChIKey is WLCIDCWVZRBHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-8(2)19(16,17)10-3-4-12-11(6-10)9(7-18-12)5-13(14)15/h3-4,6-8H,5H2,1-2H3,(H2,14,15).
What are the key properties of 2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide?
2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide has a molecular weight of 281.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-ylsulfonyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 59555485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).