ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane

C18H23NO2S — CID 138965608

IUPACethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane
SMILESCCS(=O)(=Nc1c(C)cc(C)cc1C)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO2S/c1-6-22(20,17-9-7-16(21-5)8-10-17)19-18-14(3)11-13(2)12-15(18)4/h7-12H,6H2,1-5H3
InChIKeyYJXNIKQKQCZYOW-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.80
Rot. Bonds4

About ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane

ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane (PubChem CID 138965608) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane.

Molecular Properties

Compound Nameethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane
PubChem CID138965608
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Nameethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane
SMILESCCS(=O)(=Nc1c(C)cc(C)cc1C)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO2S/c1-6-22(20,17-9-7-16(21-5)8-10-17)19-18-14(3)11-13(2)12-15(18)4/h7-12H,6H2,1-5H3
InChIKeyYJXNIKQKQCZYOW-UHFFFAOYSA-N
XLogP4.80
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-ethylsulfonyl-4-methoxy-2-methylbenzene
CID 69494919
(NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
CID 23240619
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
(NE)-N-[1-(4-methoxyphenyl)ethylidene]-2,4,6-trimethylbenzenesulfonamide
CID 135072677
1-methoxy-4-methylbenzene;propane
CID 142064987
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 26034267
4-methoxybenzenesulfonyl iodide
CID 23080708

Frequently Asked Questions

What is the IUPAC name of ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane?
The IUPAC name of ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane (CID 138965608) is ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane.
What is the SMILES notation for ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane?
The canonical SMILES for ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane is CCS(=O)(=Nc1c(C)cc(C)cc1C)c1ccc(OC)cc1.
What is the InChIKey of ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane?
The InChIKey is YJXNIKQKQCZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-6-22(20,17-9-7-16(21-5)8-10-17)19-18-14(3)11-13(2)12-15(18)4/h7-12H,6H2,1-5H3.
What are the key properties of ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane?
ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane has a molecular weight of 317.45 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane is sourced from PubChem (CID 138965608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).