N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

C8H8N4O3S3 — CID 44520900

IUPACN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESNS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)
InChIKeyKROUVPYNINHEBZ-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.43
Rot. Bonds4

About N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 44520900) has the molecular formula C8H8N4O3S3 and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID44520900
Molecular FormulaC8H8N4O3S3
Molecular Weight304.38 g/mol
Exact Mass303.98
IUPAC NameN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESNS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)
InChIKeyKROUVPYNINHEBZ-UHFFFAOYSA-N
XLogP0.43
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide 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

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2207086
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
CID 831646
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-thienyl)acetamide
CID 1245966
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-yl)acetamide
CID 769201
N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 2218643
N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 3220506
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 651910
N-(1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
CID 694875
N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 646024
N-(5-Cyclohexylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2-thiophen-2-yl-acetamide
CID 650149
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((5-(2-(thiophen-2-yl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide
CID 4166292

Frequently Asked Questions

What is the IUPAC name of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (CID 44520900) is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1.
What is the InChIKey of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is KROUVPYNINHEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13).
What are the key properties of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 304.38 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 44520900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).