2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline

C18H21NO5S — CID 54578767

IUPAC2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2c(OC)cccc2OC)c(N)c1
InChIInChI=1S/C18H21NO5S/c1-22-14-8-7-13(16(19)11-14)12-25(20,21)10-9-15-17(23-2)5-4-6-18(15)24-3/h4-11H,12,19H2,1-3H3/b10-9+
InChIKeyIUEIVYVQJYHSFS-MDZDMXLPSA-N
MW363.44 g/mol
LogP2.88
Rot. Bonds7

About 2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline

2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline (PubChem CID 54578767) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline
PubChem CID54578767
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2c(OC)cccc2OC)c(N)c1
InChIInChI=1S/C18H21NO5S/c1-22-14-8-7-13(16(19)11-14)12-25(20,21)10-9-15-17(23-2)5-4-6-18(15)24-3/h4-11H,12,19H2,1-3H3/b10-9+
InChIKeyIUEIVYVQJYHSFS-MDZDMXLPSA-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'}

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Related Compounds

1,3-dimethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 10132484
(2-amino-4-methoxyphenyl)methanesulfonic acid
CID 154180225
2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol
CID 173091100
5-[[(E)-2-(3,5-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
CID 54587451
N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 67317738
(E)-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745323
(Z)-4-(2,6-dimethoxyphenyl)-1-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylbut-3-en-2-one
CID 57480438
5-chloro-2-[2-(3-chlorophenyl)ethenylsulfonylmethyl]aniline
CID 173194005
1,2,3-trimethoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]benzene
CID 74057519
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
4-methoxy-2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]phenyl]benzenesulfonic acid
CID 173046610
4-methoxy-3-[(3-methoxyphenyl)sulfonylmethyl]aniline
CID 43444316

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline?
The IUPAC name of 2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline (CID 54578767) is 2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline.
What is the SMILES notation for 2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline?
The canonical SMILES for 2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline is COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cccc2OC)c(N)c1.
What is the InChIKey of 2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline?
The InChIKey is IUEIVYVQJYHSFS-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-22-14-8-7-13(16(19)11-14)12-25(20,21)10-9-15-17(23-2)5-4-6-18(15)24-3/h4-11H,12,19H2,1-3H3/b10-9+.
What are the key properties of 2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline?
2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-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 2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylmethyl]-5-methoxyaniline is sourced from PubChem (CID 54578767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).