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N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]-2-[(2-methyl-5-tetrazolyl)methyl]acetamide

HCID 22907172
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(Cc2nnn(C)n2)C(=O)NO)cc1
InChIKey
MMUFXGARBTWSFN-UHFFFAOYSA-N
Molecular formula
C19H22N6O5S
Average molar mass
446.5 g/mol
Monoisotopic mass
446.137239

Names & identifiers

Preferred name
N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]-2-[(2-methyl-5-tetrazolyl)methyl]acetamide
IUPAC
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-(2-methyltetrazol-5-yl)propanamide

Names & synonyms

SCHEMBL7344580MMUFXGARBTWSFN-UHFFFAOYSA-NN-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]-2-[(2-methyl-5-tetrazolyl)methyl]acetamide

Database identifiers

PubChem CID
22907172

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
148 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
31
Formal charge
0
Complexity
676

Related reactions

5 records
New reaction record
HRID 264322 reaction equation
HRID 264322As productuspto-grants-1997_07
HRID 742057 reaction equation
HRID 742057As productuspto-grants-1996_09
HRID 1537581 reaction equation
HRID 1537581As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1720618 reaction equation
HRID 1720618As productuspto-grants-1996_04
HRID 2209708 reaction equation
HRID 2209708As productuspto-grants-1995_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes