[6-(N-isopropylcarbamoyl)-2[4-(N-isopropylcarbamoyl)phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone

HCID 22001237
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Basic information

Standard SMILES
CC(C)NC(=O)c1ccc(-c2sc3cc(C(=O)NC(C)C)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIKey
UXCMHGFKLPQEIY-UHFFFAOYSA-N
Molecular formula
C36H41N3O4S
Average molar mass
611.8 g/mol

Names & identifiers

Preferred name
[6-(N-isopropylcarbamoyl)-2[4-(N-isopropylcarbamoyl)phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
IUPAC
3-[4-(2-piperidin-1-ylethoxy)benzoyl]-N-propan-2-yl-2-[4-(propan-2-ylcarbamoyl)phenyl]-1-benzothiophene-6-carboxamide

Names & synonyms

SCHEMBL7936776UXCMHGFKLPQEIY-UHFFFAOYSA-N[6-(N-isopropylcarbamoyl)-2[4-(N-isopropylcarbamoyl)phenyl]benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone

Database identifiers

PubChem CID
22001237

Properties

Computed structural properties

XLogP
7
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
44

Related reactions

2 records
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Linked notes

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