2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

C18H19N3O4S — CID 3247783

IUPAC2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NN=Cc2ccc(O)cc2O)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-2-5-14(6-3-12)20-17(24)10-26-11-18(25)21-19-9-13-4-7-15(22)8-16(13)23/h2-9,22-23H,10-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyJNROXQIABFDONA-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.23
Rot. Bonds7

About 2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 3247783) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID3247783
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NN=Cc2ccc(O)cc2O)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-2-5-14(6-3-12)20-17(24)10-26-11-18(25)21-19-9-13-4-7-15(22)8-16(13)23/h2-9,22-23H,10-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyJNROXQIABFDONA-UHFFFAOYSA-N
XLogP2.23
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3247784
N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
CID 136863468
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 135560200
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 2293021
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 136661274
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136906014
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135641728
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (CID 3247783) is 2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCC(=O)NN=Cc2ccc(O)cc2O)cc1.
What is the InChIKey of 2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is JNROXQIABFDONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-2-5-14(6-3-12)20-17(24)10-26-11-18(25)21-19-9-13-4-7-15(22)8-16(13)23/h2-9,22-23H,10-11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3247783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).