tert-butyl N-[2-(benzenesulfonyl)ethyl]-N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]carbamate

HCID 69554229
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N(CCS(=O)(=O)c1ccccc1)CC(=O)N1CCCC1C#N
InChIKey
UDVUVRDLSFJHTH-UHFFFAOYSA-N
Molecular formula
C20H27N3O5S
Average molar mass
421.5 g/mol
Monoisotopic mass
421.16714214

Names & identifiers

Preferred name
tert-butyl N-[2-(benzenesulfonyl)ethyl]-N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]carbamate
IUPAC
tert-butyl N-[2-(benzenesulfonyl)ethyl]-N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]carbamate

Names & synonyms

SCHEMBL5753003

Database identifiers

PubChem CID
69554229

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
116 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
29

Related reactions

1 records
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Compound notes

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