Basic information
- CAS
302804-48-4- Standard SMILES
CN1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1- InChIKey
RDESGHCWCBCERU-UHFFFAOYSA-N- Molecular formula
- C16H19N3OS
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.12488341
Names & identifiers
- Preferred name
- N-[4-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxamide
- IUPAC
- N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
- English name
- N-(4-(4-Methyl-1-piperazinyl)phenyl)-2-thiophenecarboxamide
- Molecular formula
- C16H19N3OS
- Molecular weight
- 301.41
Names & synonyms
N-[4-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxamideN-(4-(4-METHYL-1-PIPERAZINYL)PHENYL)-2-THIOPHENECARBOXAMIDEMaybridge2_000157Oprea1_085766Oprea1_564549MLS000711222F1065-0466CHEMBL1443305HMS1303H03HMS2647I10AKOS000647321IDI1_001197
Show more names
2-Thiophenecarboxamide, N-[4-(4-methyl-1-piperazinyl)phenyl]-
SMR000280989ST50451112AE-641/13434054Z52051933N-[4-(4-methylpiperazinyl)phenyl]-2-thienylcarboxamideN-(4-(4-methylpiperazin-1-yl)phenyl)thiophene-2-carboxamide
Database identifiers
- CAS
302804-48-4- PubChem CID
- 718994
- ChEMBL
CHEMBL1443305- EC Number
- 140-239-9
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 396.493 · 396.493±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.414 · 12.414±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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