tert-Butyl methyl{[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methyl}carbamate

HCID 66924935
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Basic information

Standard SMILES
CN(Cc1cc(-c2ccsc2)n(S(=O)(=O)c2ccccc2)c1)C(=O)OC(C)(C)C
InChIKey
BWHLNJFAXWLLTG-UHFFFAOYSA-N
Molecular formula
C21H24N2O4S2
Average molar mass
432.6 g/mol

Names & identifiers

Preferred name
tert-Butyl methyl{[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methyl}carbamate
IUPAC
tert-butyl N-[[1-(benzenesulfonyl)-5-thiophen-3-ylpyrrol-3-yl]methyl]-N-methylcarbamate

Names & synonyms

SCHEMBL1156664BWHLNJFAXWLLTG-UHFFFAOYSA-Ntert-Butyl methyl{[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methyl}carbamate

Database identifiers

PubChem CID
66924935

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
29

Related reactions

4 records
New reaction record

Compound notes

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