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

HCID 57795438
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Basic information

Standard SMILES
CC1CCC(C(=O)N(c2cc(C3=CCCCC3)sc2C(=O)O)C2CCN(C(=O)C(C)C)CC2)CC1
InChIKey
YZBWRCKPMKZIKM-UHFFFAOYSA-N
Molecular formula
C28H40N2O4S
Average molar mass
500.7 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2105108SCHEMBL2611948YZBWRCKPMKZIKM-XUTJKUGGSA-N5-cyclohex-1-enyl-3-[(1-isobutyryl-piperidin-4-yl)-(trans-4-methyl cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid

Database identifiers

PubChem CID
57795438

Properties

Computed structural properties

XLogP
6
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
35

Related reactions

1 records
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Compound notes

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