2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide

C17H16N4O4S2 — CID 122163141

IUPAC2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)NCc2nccnc2-c2cccs2)cc1
InChIInChI=1S/C17H16N4O4S2/c18-16(22)11-25-12-3-5-13(6-4-12)27(23,24)21-10-14-17(20-8-7-19-14)15-2-1-9-26-15/h1-9,21H,10-11H2,(H2,18,22)
InChIKeyHAMYJTAJDZNJPV-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.55
Rot. Bonds8

About 2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide

2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide (PubChem CID 122163141) has the molecular formula C17H16N4O4S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide
PubChem CID122163141
Molecular FormulaC17H16N4O4S2
Molecular Weight404.47 g/mol
Exact Mass404.06
IUPAC Name2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)NCc2nccnc2-c2cccs2)cc1
InChIInChI=1S/C17H16N4O4S2/c18-16(22)11-25-12-3-5-13(6-4-12)27(23,24)21-10-14-17(20-8-7-19-14)15-2-1-9-26-15/h1-9,21H,10-11H2,(H2,18,22)
InChIKeyHAMYJTAJDZNJPV-UHFFFAOYSA-N
XLogP1.55
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide (CID 122163141) is 2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide is NC(=O)COc1ccc(S(=O)(=O)NCc2nccnc2-c2cccs2)cc1.
What is the InChIKey of 2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide?
The InChIKey is HAMYJTAJDZNJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S2/c18-16(22)11-25-12-3-5-13(6-4-12)27(23,24)21-10-14-17(20-8-7-19-14)15-2-1-9-26-15/h1-9,21H,10-11H2,(H2,18,22).
What are the key properties of 2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide?
2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide has a molecular weight of 404.47 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 122163141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).