2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C13H15N3O4S2 — CID 2163044

IUPAC2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCCOCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H15N3O4S2/c1-2-20-9-12(17)15-10-3-5-11(6-4-10)22(18,19)16-13-14-7-8-21-13/h3-8H,2,9H2,1H3,(H,14,16)(H,15,17)
InChIKeyQAAQDSNKFQLBEX-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.92
Rot. Bonds7

About 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 2163044) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID2163044
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Name2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCCOCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H15N3O4S2/c1-2-20-9-12(17)15-10-3-5-11(6-4-10)22(18,19)16-13-14-7-8-21-13/h3-8H,2,9H2,1H3,(H,14,16)(H,15,17)
InChIKeyQAAQDSNKFQLBEX-UHFFFAOYSA-N
XLogP1.92
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 2163044) is 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is CCOCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is QAAQDSNKFQLBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-2-20-9-12(17)15-10-3-5-11(6-4-10)22(18,19)16-13-14-7-8-21-13/h3-8H,2,9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2163044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).