5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline

C18H21NO5S — CID 54587451

IUPAC5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
SMILESCOc1cc(/C=C/S(=O)(=O)Cc2ccc(OC)c(N)c2)cc(OC)c1
InChIInChI=1S/C18H21NO5S/c1-22-15-8-13(9-16(11-15)23-2)6-7-25(20,21)12-14-4-5-18(24-3)17(19)10-14/h4-11H,12,19H2,1-3H3/b7-6+
InChIKeyVMIQAQMSMUMUKP-VOTSOKGWSA-N
MW363.44 g/mol
LogP2.88
Rot. Bonds7

About 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline

5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline (PubChem CID 54587451) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
PubChem CID54587451
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
SMILESCOc1cc(/C=C/S(=O)(=O)Cc2ccc(OC)c(N)c2)cc(OC)c1
InChIInChI=1S/C18H21NO5S/c1-22-15-8-13(9-16(11-15)23-2)6-7-25(20,21)12-14-4-5-18(24-3)17(19)10-14/h4-11H,12,19H2,1-3H3/b7-6+
InChIKeyVMIQAQMSMUMUKP-VOTSOKGWSA-N
XLogP2.88
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline 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

1-methoxy-4-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylmethyl]-2-nitrobenzene
CID 54578536
methyl N-[2-methoxy-5-[[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]carbamate
CID 142801174
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]guanidine
CID 85096180
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 3,5-diaminobenzoate
CID 11443926
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 2-aminoacetate
CID 11396794
2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonamide
CID 25001240
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] 2,2-difluoroacetate
CID 11751795
2,4-diamino-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]benzenesulfonothioamide
CID 88882906
2-methoxy-5-[(3-methylphenyl)methylsulfonylmethyl]aniline
CID 62769862
5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride
CID 25050180
(Z)-4-(3-amino-4-methoxyphenyl)-1-[2-(3-amino-4-methoxyphenyl)ethenylsulfonyl]but-3-en-2-one
CID 173037235
1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 10132484

Frequently Asked Questions

What is the IUPAC name of 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline?
The IUPAC name of 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline (CID 54587451) is 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline.
What is the SMILES notation for 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline?
The canonical SMILES for 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline is COc1cc(/C=C/S(=O)(=O)Cc2ccc(OC)c(N)c2)cc(OC)c1.
What is the InChIKey of 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline?
The InChIKey is VMIQAQMSMUMUKP-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-22-15-8-13(9-16(11-15)23-2)6-7-25(20,21)12-14-4-5-18(24-3)17(19)10-14/h4-11H,12,19H2,1-3H3/b7-6+.
What are the key properties of 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline?
5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline has a molecular weight of 363.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline is sourced from PubChem (CID 54587451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).