N-[3-(2-amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

HCID 76281188
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Basic information

Standard SMILES
NC(=O)CC1(NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)CS(=O)(=O)C1
InChIKey
VTCPLEHKZNJKRG-UHFFFAOYSA-N
Molecular formula
C16H18F3N3O5S
Average molar mass
421.4 g/mol

Names & identifiers

Preferred name
N-[3-(2-amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
IUPAC
N-[3-(2-amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

Names & synonyms

N-[3-(2-amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamideCHEMBL3934378SCHEMBL15790238BDBM240445US9409866, 160

Database identifiers

PubChem CID
76281188
ChEMBL
CHEMBL3934378

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
137 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
28

Related reactions

1 records
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Compound notes

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