2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide

C24H25N3O6S — CID 28702064

IUPAC2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C\c2ccc(OC)c(COc3ccccc3C(N)=O)c2)cc1
InChIInChI=1S/C24H25N3O6S/c1-3-32-19-9-11-20(12-10-19)34(29,30)27-26-15-17-8-13-22(31-2)18(14-17)16-33-23-7-5-4-6-21(23)24(25)28/h4-15,27H,3,16H2,1-2H3,(H2,25,28)/b26-15-
InChIKeyDFKQIKMOXLXGKQ-YSMPRRRNSA-N
MW483.55 g/mol
LogP3.08
Rot. Bonds11

About 2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide

2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide (PubChem CID 28702064) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide
PubChem CID28702064
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C\c2ccc(OC)c(COc3ccccc3C(N)=O)c2)cc1
InChIInChI=1S/C24H25N3O6S/c1-3-32-19-9-11-20(12-10-19)34(29,30)27-26-15-17-8-13-22(31-2)18(14-17)16-33-23-7-5-4-6-21(23)24(25)28/h4-15,27H,3,16H2,1-2H3,(H2,25,28)/b26-15-
InChIKeyDFKQIKMOXLXGKQ-YSMPRRRNSA-N
XLogP3.08
TPSA129.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516660
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908628
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516704
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 6294716
4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5431510
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 5430799
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
3,4-dimethoxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517474
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517624

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide?
The IUPAC name of 2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide (CID 28702064) is 2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide?
The canonical SMILES for 2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide is CCOc1ccc(S(=O)(=O)N/N=C\c2ccc(OC)c(COc3ccccc3C(N)=O)c2)cc1.
What is the InChIKey of 2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide?
The InChIKey is DFKQIKMOXLXGKQ-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-3-32-19-9-11-20(12-10-19)34(29,30)27-26-15-17-8-13-22(31-2)18(14-17)16-33-23-7-5-4-6-21(23)24(25)28/h4-15,27H,3,16H2,1-2H3,(H2,25,28)/b26-15-.
What are the key properties of 2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide?
2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide has a molecular weight of 483.55 g/mol, XLogP of 3.08, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide is sourced from PubChem (CID 28702064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).