[2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate

C19H20N2O5S2 — CID 5198092

IUPAC[2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate
SMILESC=CCSCC(=O)Oc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C19H20N2O5S2/c1-3-10-27-13-19(22)26-17-9-4-14(11-18(17)25-2)12-21-15-5-7-16(8-6-15)28(20,23)24/h3-9,11-12H,1,10,13H2,2H3,(H2,20,23,24)/b21-12+
InChIKeyHUSPJGUADHTQBW-CIAFOILYSA-N
MW420.51 g/mol
LogP2.92
Rot. Bonds9

About [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate

[2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate (PubChem CID 5198092) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate.

Molecular Properties

Compound Name[2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate
PubChem CID5198092
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC Name[2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate
SMILESC=CCSCC(=O)Oc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C19H20N2O5S2/c1-3-10-27-13-19(22)26-17-9-4-14(11-18(17)25-2)12-21-15-5-7-16(8-6-15)28(20,23)24/h3-9,11-12H,1,10,13H2,2H3,(H2,20,23,24)/b21-12+
InChIKeyHUSPJGUADHTQBW-CIAFOILYSA-N
XLogP2.92
TPSA108.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate 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

[4-[(3-methoxy-4-octadecanoyloxyphenyl)methylideneamino]phenyl] octadecanoate
CID 102179342
4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1275154
2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 4840746
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 964993
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
[4-[(4-hydroxyphenyl)iminomethyl]-2-methoxyphenyl] 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
CID 1383952
[4-[(4-hydroxyphenyl)iminomethyl]-2-methoxyphenyl] 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate
CID 4287692
4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 958545
[2-methoxy-4-[(4-nitrophenyl)iminomethyl]phenyl] cyclopropanecarboxylate
CID 23791098
2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 5155606
[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate
CID 4521869
[4-[(4-chlorophenyl)iminomethyl]-2-methoxyphenyl] 2-(3-methylpiperidin-1-yl)acetate;hydrochloride
CID 3046143

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate?
The IUPAC name of [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate (CID 5198092) is [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate.
What is the SMILES notation for [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate?
The canonical SMILES for [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate is C=CCSCC(=O)Oc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate?
The InChIKey is HUSPJGUADHTQBW-CIAFOILYSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c1-3-10-27-13-19(22)26-17-9-4-14(11-18(17)25-2)12-21-15-5-7-16(8-6-15)28(20,23)24/h3-9,11-12H,1,10,13H2,2H3,(H2,20,23,24)/b21-12+.
What are the key properties of [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate?
[2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate has a molecular weight of 420.51 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate is sourced from PubChem (CID 5198092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).