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

HCID 57795389
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Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCN(C=O)CC1
InChIKey
QHXBJHAYEHDHTO-UHFFFAOYSA-N
Molecular formula
C26H36N2O4S
Average molar mass
472.6 g/mol
Monoisotopic mass
472.23957881

Names & identifiers

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

Names & synonyms

SCHEMBL2105102SCHEMBL2105105QHXBJHAYEHDHTO-KESTWPANSA-N5-Cyclohex-1-enyl-3-[(1-formyl-piperidin-4-yl)-(trans-4-methyl-cyclohexane-carbonyl)-amino]-thiophene-2-carboxylic acid methyl ester5-Cyclohex-1-enyl-3-[(1-formyl-piperidin-4-yl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
57795389

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
95.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
New reaction record

Compound notes

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