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4-benzyl-3-n-butoxy-5-sulfamyl-N-(2'-diethylaminoethyl)-benzamide

HCID 54466401
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCOc1cc(C(=O)NCCN(CC)CC)cc(S(N)(=O)=O)c1Cc1ccccc1
InChIKey
XFEAMKTXTILERZ-UHFFFAOYSA-N
Molecular formula
C24H35N3O4S
Average molar mass
461.6 g/mol

Names & identifiers

Preferred name
4-benzyl-3-n-butoxy-5-sulfamyl-N-(2'-diethylaminoethyl)-benzamide
IUPAC
4-benzyl-3-butoxy-N-[2-(diethylamino)ethyl]-5-sulfamoylbenzamide

Names & synonyms

SCHEMBL11372235XFEAMKTXTILERZ-UHFFFAOYSA-N4-benzyl-3-n-butoxy-5-sulfamyl-N-(2'-diethylaminoethyl)-benzamide

Database identifiers

PubChem CID
54466401

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
110 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
32
Formal charge
0
Complexity
642

Related reactions

3 records
New reaction record
HRID 301800 reaction equation
HRID 301800As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1390063 reaction equation
HRID 1390063As reactantuspto-grants-1981_01
HRID 2082885 reaction equation
HRID 2082885As reactantuspto-grants-1978_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes