[2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate

C23H19N3O6S2 — CID 73234077

IUPAC[2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate
SMILESCOc1cccc(CC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(-c3cnco3)s2)c1
InChIInChI=1S/C23H19N3O6S2/c1-30-18-7-4-5-16(11-18)12-22(27)26-25-13-17-6-2-3-8-19(17)32-34(28,29)23-10-9-21(33-23)20-14-24-15-31-20/h2-11,13-15H,12H2,1H3,(H,26,27)
InChIKeyCGQAWUAYSTWKGB-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.87
Rot. Bonds9

About [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate

[2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate (PubChem CID 73234077) has the molecular formula C23H19N3O6S2 and a molecular weight of 497.55 g/mol. Its IUPAC name is [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate.

Molecular Properties

Compound Name[2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate
PubChem CID73234077
Molecular FormulaC23H19N3O6S2
Molecular Weight497.55 g/mol
Exact Mass497.07
IUPAC Name[2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate
SMILESCOc1cccc(CC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(-c3cnco3)s2)c1
InChIInChI=1S/C23H19N3O6S2/c1-30-18-7-4-5-16(11-18)12-22(27)26-25-13-17-6-2-3-8-19(17)32-34(28,29)23-10-9-21(33-23)20-14-24-15-31-20/h2-11,13-15H,12H2,1H3,(H,26,27)
InChIKeyCGQAWUAYSTWKGB-UHFFFAOYSA-N
XLogP3.87
TPSA120.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 2,5-dichlorothiophene-3-sulfonate
CID 73234064
[2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 4-phenoxybenzenesulfonate
CID 73234068
[2-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 3-methylbenzenesulfonate
CID 73233988
phenyl 2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-propylbenzenesulfonate
CID 91017918
phenyl 2-ethoxy-6-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-methylbenzenesulfonate
CID 22185677
pyridin-2-yl 3-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]-4-methylbenzenesulfonate
CID 87982520
[2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 6513197
phenyl 4-butoxy-2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]benzenesulfonate
CID 90939000
2-methoxy-6-[2-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl]-4-methylbenzenesulfonic acid
CID 87989794
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036
[2-[[[2-(3-chlorophenyl)acetyl]hydrazinylidene]methyl]phenyl] 4-(trifluoromethyl)benzenesulfonate
CID 73234025

Frequently Asked Questions

What is the IUPAC name of [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate?
The IUPAC name of [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate (CID 73234077) is [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate.
What is the SMILES notation for [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate?
The canonical SMILES for [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate is COc1cccc(CC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(-c3cnco3)s2)c1.
What is the InChIKey of [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate?
The InChIKey is CGQAWUAYSTWKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6S2/c1-30-18-7-4-5-16(11-18)12-22(27)26-25-13-17-6-2-3-8-19(17)32-34(28,29)23-10-9-21(33-23)20-14-24-15-31-20/h2-11,13-15H,12H2,1H3,(H,26,27).
What are the key properties of [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate?
[2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate has a molecular weight of 497.55 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenyl] 5-(1,3-oxazol-5-yl)thiophene-2-sulfonate is sourced from PubChem (CID 73234077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).