2-Amino-5-benzyl-4-methyl-3-thiophenecarboxamide
Basic information
- CAS
57243-81-9- Standard SMILES
Cc1c(Cc2ccccc2)sc(N)c1C(N)=O- InChIKey
SVRNCQRVCHVFGG-UHFFFAOYSA-N- Molecular formula
- C13H14N2OS
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.08268425
Names & identifiers
- Preferred name
- 2-Amino-5-benzyl-4-methyl-3-thiophenecarboxamide
- IUPAC
- 2-amino-5-benzyl-4-methylthiophene-3-carboxamide
- English name
- 2-Amino-5-benzyl-4-methyl-3-thiophenecarboxamide
- Molecular formula
- C13H14N2OS
- Molecular weight
- 246.33
Names & synonyms
57243-81-92-amino-5-benzyl-4-methyl-3-thiophenecarboxamide2-amino-5-benzyl-4-methylthiophene-3-carboxamideMFCD01445240F1723-00582-amino-4-methyl-5-benzylthiophene-3-carboxamideSMR000104916regid7972768Cambridge id 5800379Oprea1_132216Oprea1_739359MLS000108968
Show more names
3-Thiophenecarboxamide, 2-amino-4-methyl-5-(phenylmethyl)-2-amino-5-benzyl-4-methyl-3-thiophenecarboxamide(SALTDATA: FREE)
SCHEMBL8289695CHEMBL1332395DTXSID50352268SMSSF-0042494SBB079873STK096296AKOS0003195012-amino-5-benzyl-4-methyl-3-thenamide
Database identifiers
- CAS
57243-81-9- PubChem CID
- 722048
- DTXSID
DTXSID50352268- ChEMBL
CHEMBL1332395
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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