5-Cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-phenyl-amino]-thiophene-2-carboxylic acid methyl ester

HCID 57795467
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Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)c1ccccc1
InChIKey
ATEZBAUSRGJRTP-UHFFFAOYSA-N
Molecular formula
C26H31NO3S
Average molar mass
437.6 g/mol
Monoisotopic mass
437.20246502

Names & identifiers

Preferred name
5-Cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-phenyl-amino]-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 5-(cyclohexen-1-yl)-3-(N-(4-methylcyclohexanecarbonyl)anilino)thiophene-2-carboxylate

Names & synonyms

SCHEMBL2106059SCHEMBL2106062ATEZBAUSRGJRTP-KESTWPANSA-N5-cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-phenyl-amino]-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
57795467

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
74.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
31

Related reactions

1 records
New reaction record

Compound notes

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5-Cyclohex-1-enyl-3-[(trans-4-methyl-cyclohexanecarbonyl)-phenyl-amino]-thiophene-2-carboxylic acid methyl ester (HCID 57795467)｜Huagongshe