N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine

C26H26N2O8S — CID 10029831

IUPACN-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(/N=C/c3ccc([N+](=O)[O-])cc3)c2)c(OC)c1
InChIInChI=1S/C26H26N2O8S/c1-33-21-14-25(35-3)22(26(15-21)36-4)11-12-37(31,32)17-19-7-10-24(34-2)23(13-19)27-16-18-5-8-20(9-6-18)28(29)30/h5-16H,17H2,1-4H3/b12-11+,27-16+
InChIKeyXUFBNFQWAALUGE-URYLQBCASA-N
MW526.57 g/mol
LogP4.97
Rot. Bonds11

About N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine

N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine (PubChem CID 10029831) has the molecular formula C26H26N2O8S and a molecular weight of 526.57 g/mol. Its IUPAC name is N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine
PubChem CID10029831
Molecular FormulaC26H26N2O8S
Molecular Weight526.57 g/mol
Exact Mass526.14
IUPAC NameN-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(/N=C/c3ccc([N+](=O)[O-])cc3)c2)c(OC)c1
InChIInChI=1S/C26H26N2O8S/c1-33-21-14-25(35-3)22(26(15-21)36-4)11-12-37(31,32)17-19-7-10-24(34-2)23(13-19)27-16-18-5-8-20(9-6-18)28(29)30/h5-16H,17H2,1-4H3/b12-11+,27-16+
InChIKeyXUFBNFQWAALUGE-URYLQBCASA-N
XLogP4.97
TPSA126.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.57
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine 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-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 3,5-dinitrobenzoate
CID 11433261
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]guanidine
CID 85096180
1-methoxy-4-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylmethyl]-2-nitrobenzene
CID 54578536
4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 693735
N-(2,5-dimethoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-imine
CID 4102744
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 2-aminoacetate
CID 11396794
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 2,2-difluoroacetate
CID 11751795
5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
CID 54587451
4-methoxy-2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]benzenesulfonic acid
CID 173046610
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]sulfonyl-methylcarbamic acid
CID 87201914
methyl (2S)-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]propanoate
CID 70685313
2-methoxy-N-[(1Z)-3-methylbuta-1,3-dienyl]-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]aniline
CID 126560347

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine (CID 10029831) is N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine is COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(/N=C/c3ccc([N+](=O)[O-])cc3)c2)c(OC)c1.
What is the InChIKey of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine?
The InChIKey is XUFBNFQWAALUGE-URYLQBCASA-N. The full InChI is InChI=1S/C26H26N2O8S/c1-33-21-14-25(35-3)22(26(15-21)36-4)11-12-37(31,32)17-19-7-10-24(34-2)23(13-19)27-16-18-5-8-20(9-6-18)28(29)30/h5-16H,17H2,1-4H3/b12-11+,27-16+.
What are the key properties of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine?
N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine has a molecular weight of 526.57 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 10029831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).