Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-

HCID 357771

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Basic information

CAS: 117824-56-3
Standard SMILES: COc1cc(CCC(=O)NS(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIKey: UBSZOLJIGJFDFI-UHFFFAOYSA-N
Molecular formula: C18H21NO6S
Average molar mass: 379.4 g/mol
Monoisotopic mass: 379.10895856

Names & identifiers

Preferred name: Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-
IUPAC: N-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)propanamide

Names & synonyms

Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-117824-56-3NSC617294N-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)propanamideCHEMBL1966190DTXSID10326809NSC-617294NCI60_005206

Database identifiers

CAS: 117824-56-3
PubChem CID: 357771
DTXSID: DTXSID10326809
ChEMBL: CHEMBL1966190

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 99.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 526

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