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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
CID 100814421
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide
CID 121020043
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322358
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 100814427
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706690
4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264427
4-ethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322547
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122264443
1-(2,6-difluorophenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163125

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).