Tert-butyl 4-(1-(4-chlorophenyl)-2-sulfamoylethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

HCID 57750289

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(CS(N)(=O)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
InChIKey
DFIYKJHVTNDTGY-UHFFFAOYSA-N
Molecular formula
C25H32ClN7O5S
Average molar mass
578.1 g/mol
Monoisotopic mass
577.187416

Names & identifiers

Preferred name
Tert-butyl 4-(1-(4-chlorophenyl)-2-sulfamoylethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
IUPAC
tert-butyl N-[4-[[1-(4-chlorophenyl)-2-sulfamoylethyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

Names & synonyms

SCHEMBL390565DFIYKJHVTNDTGY-UHFFFAOYSA-NTert-butyl 4-(1-(4-chlorophenyl)-2-sulfamoylethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate

Database identifiers

PubChem CID
57750289

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
181 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
39

Related reactions

4 records

Compound notes

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