N-cyclooctylthiophene-2-carboxamide
Basic information
- CAS
329220-95-3- Standard SMILES
O=C(NC1CCCCCCC1)c1cccs1- InChIKey
NYDZNLWERBFFRH-UHFFFAOYSA-N- Molecular formula
- C13H19NOS
- Average molar mass
- 237.36 g/mol
- Monoisotopic mass
- 237.1187354
Names & identifiers
- Preferred name
- N-cyclooctylthiophene-2-carboxamide
- IUPAC
- N-cyclooctylthiophene-2-carboxamide
- English name
- 2-Thiophenecarboxamide,N-cyclooctyl
- Molecular formula
- C13H19NOS
- Molecular weight
- 237.36106
Names & synonyms
N-cyclooctylthiophene-2-carboxamide2-thiophenecarboxamide,n-cyclooctyl329220-95-3Thiophene-2-carboxylic acid cyclooctylamideCambridge id 5245707TimTec1_000369Oprea1_515477MLS001219419CHEMBL1517953N-cyclooctyl-2-thienylcarboxamideDTXSID001330145HMS1535A17
Show more names
HMS2909O13N-cyclooctyl-2-thiophenecarboxamideAKOS000640466SMR000611630ST004926EU-0084427AG-690/34159050SR-01000512729
Database identifiers
- CAS
329220-95-3- PubChem CID
- 673377
- DTXSID
DTXSID001330145- ChEMBL
CHEMBL1517953
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Solubility22.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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