N-(2-fluoropropyl)-N-[6-(methoxymethoxy)-2,3-dihydro-1H-inden-5-yl]-4-methyl-1,3-thiazole-2-sulfonamide

HCID 76776005

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COCOc1cc2c(cc1N(CC(C)F)S(=O)(=O)c1nc(C)cs1)CCC2
InChIKey: XNDBDLDKDTXRDO-UHFFFAOYSA-N
Molecular formula: C18H23FN2O4S2
Average molar mass: 414.5 g/mol
Monoisotopic mass: 414.10832773

Names & identifiers

Preferred name: N-(2-fluoropropyl)-N-[6-(methoxymethoxy)-2,3-dihydro-1H-inden-5-yl]-4-methyl-1,3-thiazole-2-sulfonamide
IUPAC: N-(2-fluoropropyl)-N-[6-(methoxymethoxy)-2,3-dihydro-1H-inden-5-yl]-4-methyl-1,3-thiazole-2-sulfonamide

Database identifiers

PubChem CID: 76776005

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 588

Related reactions

2 records

New reaction record

HRID 833485 reaction equation

HRID 833485As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2139668 reaction equation

HRID 2139668As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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