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

HCID 57795418
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Basic information

Standard SMILES
COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)C1CCN(C(=O)C(C)C)CC1
InChIKey
UJPXPQITBKABOQ-UHFFFAOYSA-N
Molecular formula
C29H42N2O4S
Average molar mass
514.7 g/mol
Monoisotopic mass
514.286529

Names & identifiers

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

Names & synonyms

SCHEMBL2105974SCHEMBL2611949UJPXPQITBKABOQ-AQYVVDRMSA-N5-cyclohex-1-enyl-3-[(1-isobutyryl-piperidin-4-yl)-(trans-4-methyl cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
57795418

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
95.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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