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4-Isothiazolecarboxy-p-phenetidide, 5-benzamido-3-methyl-

HCID 32945
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
25392-07-8
Standard SMILES
CCOc1ccc(NC(=O)c2c(C)nsc2NC(=O)c2ccccc2)cc1
InChIKey
GHQGBVSKUDECJR-UHFFFAOYSA-N
Molecular formula
C20H19N3O3S
Average molar mass
381.4 g/mol
Monoisotopic mass
381.11471265

Names & identifiers

Preferred name
4-Isothiazolecarboxy-p-phenetidide, 5-benzamido-3-methyl-
IUPAC
5-benzamido-N-(4-ethoxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide

Names & synonyms

BRN 11643964-ISOTHIAZOLECARBOXY-p-PHENETIDIDE, 5-BENZAMIDO-3-METHYL-5-Benzamido-3-methyl-4-isothiazolecarboxy-p-phenetidide25392-07-83-Methyl-5-benzoylaminoisothiazole-4-carboxy-p-ethoxyphenylamideDTXSID50180043RefChem:293675DTXCID601025345-benzamido-N-(4-ethoxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide

Database identifiers

CAS
25392-07-8
PubChem CID
32945
DTXSID
DTXSID50180043

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
505

Related reactions

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Compound notes

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