N-[3-(2-Amino-4-methyl-phenylsulfanyl)-phenyl]-acetamide

HCID 68458446

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)Nc1cccc(Sc2ccc(C)cc2N)c1
InChIKey: JVIMFUHNGNYOBK-UHFFFAOYSA-N
Molecular formula: C15H16N2OS
Average molar mass: 272.4 g/mol

Names & identifiers

Preferred name: N-[3-(2-Amino-4-methyl-phenylsulfanyl)-phenyl]-acetamide
IUPAC: N-[3-(2-amino-4-methylphenyl)sulfanylphenyl]acetamide

Names & synonyms

SCHEMBL2961977JVIMFUHNGNYOBK-UHFFFAOYSA-NN-[3-(2-Amino-4-methyl-phenylsulfanyl)-phenyl]-acetamide

Database identifiers

PubChem CID: 68458446

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 80.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 311

Related reactions

11 records

New reaction record

HRID 163010As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 836884As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1241185As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2197798As productuspto-grants-2012_12

HRID 2197799As reactantuspto-grants-2012_12

HRID 2197959As productuspto-grants-2012_12

HRID 2197960As reactantuspto-grants-2012_12

HRID 2358633As productuspto-grants-2010_07

Compound notes

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