Methyl 2-[[2-(2-methylphenyl)-4-(thiophen-2-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoate

HCID 22014042
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(CCSC)NC(=O)c1ccc(COCc2cccs2)cc1-c1ccccc1C
InChIKey
OVLAOXWHSHRUBY-UHFFFAOYSA-N
Molecular formula
C26H29NO4S2
Average molar mass
483.6 g/mol

Names & identifiers

Preferred name
Methyl 2-[[2-(2-methylphenyl)-4-(thiophen-2-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoate
IUPAC
methyl 2-[[2-(2-methylphenyl)-4-(thiophen-2-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoate

Names & synonyms

SCHEMBL7903932

Database identifiers

PubChem CID
22014042

Properties

Computed structural properties

XLogP
5
Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

Loading…