Propane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amide

HCID 59747992

Basic information

Standard SMILES
CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey
AMESWHHRXMQUGR-UHFFFAOYSA-N
Molecular formula
C19H26BNO4S2
Average molar mass
407.4 g/mol

Names & identifiers

Preferred name
Propane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amide
IUPAC
N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thiophen-3-yl]propane-2-sulfonamide

Names & synonyms

propane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amidepropane-2-sulfonic acid {2-[4-{4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amideSCHEMBL3601164AMESWHHRXMQUGR-UHFFFAOYSA-Npropane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amidepropane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) -phenyl]-thiophen-3-yl}-amidepropane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiophen -3-yl}-amidePropane-2-sulfonic acid{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pheny]-thiophen-3-yl}-amidepropane-2-sulfonic acid{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amide

Database identifiers

PubChem CID
59747992

Properties

Computed structural properties

Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

Related reactions

10 records

Linked notes

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