2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide

C14H13NO5S2 — CID 71941178

IUPAC2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide
SMILESCC(=O)c1ccc(OCC(=O)NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H13NO5S2/c1-10(16)11-4-6-12(7-5-11)20-9-13(17)15-22(18,19)14-3-2-8-21-14/h2-8H,9H2,1H3,(H,15,17)
InChIKeyVXBCQOYNGDRXIK-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.83
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide

2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide (PubChem CID 71941178) has the molecular formula C14H13NO5S2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide
PubChem CID71941178
Molecular FormulaC14H13NO5S2
Molecular Weight339.39 g/mol
Exact Mass339.02
IUPAC Name2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide
SMILESCC(=O)c1ccc(OCC(=O)NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C14H13NO5S2/c1-10(16)11-4-6-12(7-5-11)20-9-13(17)15-22(18,19)14-3-2-8-21-14/h2-8H,9H2,1H3,(H,15,17)
InChIKeyVXBCQOYNGDRXIK-UHFFFAOYSA-N
XLogP1.83
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide (CID 71941178) is 2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide is CC(=O)c1ccc(OCC(=O)NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide?
The InChIKey is VXBCQOYNGDRXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S2/c1-10(16)11-4-6-12(7-5-11)20-9-13(17)15-22(18,19)14-3-2-8-21-14/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of 2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide?
2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide has a molecular weight of 339.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 71941178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).