Ethyl 5-(4-Decanamidophenylsulfonamido)-1,3,4-thiadiazole-2-carboxylate

HCID 53318403
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(=O)OCC)s2)cc1
InChIKey
DQRJFBUXNGDEFT-UHFFFAOYSA-N
Molecular formula
C21H30N4O5S2
Average molar mass
482.6 g/mol
Monoisotopic mass
482.16576242

Names & identifiers

Preferred name
Ethyl 5-(4-Decanamidophenylsulfonamido)-1,3,4-thiadiazole-2-carboxylate
IUPAC
ethyl 5-[[4-(decanoylamino)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-carboxylate

Names & synonyms

CHEMBL1685043Ethyl 5-(4-Decanamidophenylsulfonamido)-1,3,4-thiadiazole-2-carboxylateSCHEMBL282181DQRJFBUXNGDEFT-UHFFFAOYSA-NBDBM50338943

Database identifiers

PubChem CID
53318403
ChEMBL
CHEMBL1685043

Properties

Computed structural properties

XLogP
5
Topological polar surface area
164 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
15
Heavy atoms
32

Related reactions

3 records
New reaction record

Compound notes

Loading…