N-{3-Cyano-2-[(2-ethylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothien-6-yl}-N-[1-(hydroxymethyl)-2,2-dimethylpropyl]cyclohexanecarboxamide

HCID 10028982
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Basic information

Standard SMILES
CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C(=O)C1CCCCC1)C(CO)C(C)(C)C)C2
InChIKey
DYELNHVNOUUBQK-UHFFFAOYSA-N
Molecular formula
C28H43N3O3S
Average molar mass
501.7 g/mol

Names & identifiers

Preferred name
N-{3-Cyano-2-[(2-ethylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothien-6-yl}-N-[1-(hydroxymethyl)-2,2-dimethylpropyl]cyclohexanecarboxamide
IUPAC
N-[3-cyano-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl]-N-(1-hydroxy-3,3-dimethylbutan-2-yl)cyclohexanecarboxamide

Names & synonyms

SCHEMBL4035921DYELNHVNOUUBQK-UHFFFAOYSA-NN-{3-Cyano-2-[(2-ethylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothien-6-yl}-N-[1-(hydroxymethyl)-2,2-dimethylpropyl]cyclohexanecarboxamide

Database identifiers

PubChem CID
10028982

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
122 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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