Ethyl 5-hexadecylamino-2-thiophenecarboxylate

HCID 20503573
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCCNc1ccc(C(=O)OCC)s1
InChIKey
PDASVGPKXQHEJH-UHFFFAOYSA-N
Molecular formula
C23H41NO2S
Average molar mass
395.6 g/mol

Names & identifiers

Preferred name
Ethyl 5-hexadecylamino-2-thiophenecarboxylate
IUPAC
ethyl 5-(hexadecylamino)thiophene-2-carboxylate

Names & synonyms

CHEMBL31492SCHEMBL11189181PDASVGPKXQHEJH-UHFFFAOYSA-Nethyl 5-hexadecylamino-2-thiophenecarboxylate

Database identifiers

PubChem CID
20503573
ChEMBL
CHEMBL31492

Properties

Computed structural properties

XLogP
10.2
Topological polar surface area
66.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
19
Heavy atoms
27

Related reactions

4 records
New reaction record

Compound notes

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