N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline

C16H17NO2S — CID 138974753

IUPACN-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)/C=C/S(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-17(14-8-10-15(19-2)11-9-14)12-13-20(18)16-6-4-3-5-7-16/h3-13H,1-2H3/b13-12+
InChIKeyOVANRNGKDURLPR-OUKQBFOZSA-N
MW287.38 g/mol
LogP3.41
Rot. Bonds5

About N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline

N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline (PubChem CID 138974753) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline
PubChem CID138974753
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)/C=C/S(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-17(14-8-10-15(19-2)11-9-14)12-13-20(18)16-6-4-3-5-7-16/h3-13H,1-2H3/b13-12+
InChIKeyOVANRNGKDURLPR-OUKQBFOZSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxybenzene
CID 819544
1-[1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methoxybenzene
CID 118270621
1-methoxy-4-[methyl(sulfinato)amino]benzene
CID 57253510
1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
CID 40517522
N-ethenyl-4-methoxy-N-methylaniline
CID 142070059
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
2-[2-(benzenesulfinyl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 111122551
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
methyl (E)-3-(benzenesulfinyl)prop-2-enoate
CID 11095882
1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene
CID 57384940
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
phenyl 4-methoxybenzenesulfinate
CID 20694097

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline?
The IUPAC name of N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline (CID 138974753) is N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline.
What is the SMILES notation for N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline?
The canonical SMILES for N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline is COc1ccc(N(C)/C=C/S(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline?
The InChIKey is OVANRNGKDURLPR-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-17(14-8-10-15(19-2)11-9-14)12-13-20(18)16-6-4-3-5-7-16/h3-13H,1-2H3/b13-12+.
What are the key properties of N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline?
N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline has a molecular weight of 287.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(benzenesulfinyl)ethenyl]-4-methoxy-N-methylaniline is sourced from PubChem (CID 138974753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).