N-[3-(2-Phenethylamino-pyrimidin-4-yl)-benzyl]-N-piperidin-4-yl-methanesulfonamide

HCID 58603675
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Basic information

Standard SMILES
CS(=O)(=O)N(Cc1cccc(-c2ccnc(NCCc3ccccc3)n2)c1)C1CCNCC1
InChIKey
KTUIGJYBKNHTLQ-UHFFFAOYSA-N
Molecular formula
C25H31N5O2S
Average molar mass
465.6 g/mol

Names & identifiers

Preferred name
N-[3-(2-Phenethylamino-pyrimidin-4-yl)-benzyl]-N-piperidin-4-yl-methanesulfonamide
IUPAC
N-[[3-[2-(2-phenylethylamino)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide

Names & synonyms

SCHEMBL1466756KTUIGJYBKNHTLQ-UHFFFAOYSA-NN-[3-(2-Phenethylamino-pyrimidin-4-yl)-benzyl]-N-piperidin-4-yl-methanesulfonamide

Database identifiers

PubChem CID
58603675

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
95.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
33

Related reactions

2 records
New reaction record

Linked notes

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