Basic information
- Standard SMILES
CC(C)N1CCC(N(Cc2cc(-c3ccc(Cl)s3)on2)S(=O)(=O)CCNC(=O)c2ccc(Cl)s2)CC1- InChIKey
MAPLTHRAUIGHPN-UHFFFAOYSA-N- Molecular formula
- C23H28Cl2N4O4S3
- Average molar mass
- 591.6 g/mol
- Monoisotopic mass
- 590.0649743
Names & identifiers
- Preferred name
- 5-Chloro-thiophene-2-carboxylic acid {2-[[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-(1-isopropyl-piperidin-4-yl)-sulfamoyl]-ethyl}-amide
- IUPAC
- 5-chloro-N-[2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide
Names & synonyms
SCHEMBL222060MAPLTHRAUIGHPN-UHFFFAOYSA-N5-Chloro-thiophene-2-carboxylic acid {2-[[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-(1-isopropyl-piperidin-4-yl)-sulfamoyl]-ethyl}-amide
Database identifiers
- PubChem CID
- 66624969
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 842
Related reactions
2 records
Compound notes
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