Ethyl 2-(5-(4-Acetamidophenylsulfonamido)-1,3,4-thiadiazol-2-yl)acetate

HCID 53323731

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)Cc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1
InChIKey: JPYGSNKXEFGNGD-UHFFFAOYSA-N
Molecular formula: C14H16N4O5S2
Average molar mass: 384.4 g/mol

Names & identifiers

Preferred name: Ethyl 2-(5-(4-Acetamidophenylsulfonamido)-1,3,4-thiadiazol-2-yl)acetate
IUPAC: ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetate

Names & synonyms

SCHEMBL282264CHEMBL1685035JPYGSNKXEFGNGD-UHFFFAOYSA-NEthyl 2-(5-(4-Acetamidophenylsulfonamido)-1,3,4-thiadiazol-2-yl)acetate

Database identifiers

PubChem CID: 53323731
ChEMBL: CHEMBL1685035

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 164 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 572

Related reactions

11 records

New reaction record

HRID 97576As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 195201As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 631058As productuspto-grants-2016_04

HRID 631059As reactantuspto-grants-2016_04

HRID 631060As reactantuspto-grants-2016_04

HRID 1854279As productuspto-grants-2015_02

HRID 1854280As reactantuspto-grants-2015_02

HRID 1854281As reactantuspto-grants-2015_02

Compound notes

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