((3s)(3-1,2,3,4-tetrahydroisoquinolyl))-n-[(1S)-1-[(4-chlorophenyl)methyl]-2-(4-{2-[(methylsulfonyl)amino]phenyl}piperazinyl)-2-oxoethyl]carboxamide

HCID 10145280
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Basic information

Standard SMILES
CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1
InChIKey
DOQXGQVRPIRXJG-SVBPBHIXSA-N
Molecular formula
C30H34ClN5O4S
Average molar mass
596.1 g/mol
Monoisotopic mass
595.2020035

Names & identifiers

Preferred name
((3s)(3-1,2,3,4-tetrahydroisoquinolyl))-n-[(1S)-1-[(4-chlorophenyl)methyl]-2-(4-{2-[(methylsulfonyl)amino]phenyl}piperazinyl)-2-oxoethyl]carboxamide
IUPAC
(3S)-N-[(2S)-3-(4-chlorophenyl)-1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Names & synonyms

SCHEMBL13790254DOQXGQVRPIRXJG-SVBPBHIXSA-N((3s)(3-1,2,3,4-tetrahydroisoquinolyl))-n-[(1S)-1-[(4-chlorophenyl)methyl]-2-(4-{2-[(methylsulfonyl)amino]phenyl}piperazinyl)-2-oxoethyl]carboxamide

Database identifiers

PubChem CID
10145280

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
41

Related reactions

4 records
New reaction record

Compound notes

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