N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine

C17H19NO2S — CID 1471539

IUPACN-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine
SMILESCON=C(CSc1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO2S/c1-13-4-10-16(11-5-13)21-12-17(18-20-3)14-6-8-15(19-2)9-7-14/h4-11H,12H2,1-3H3
InChIKeyIEHSOKPODJUUCM-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.15
Rot. Bonds6

About N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine

N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine (PubChem CID 1471539) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine.

Molecular Properties

Compound NameN-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine
PubChem CID1471539
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine
SMILESCON=C(CSc1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO2S/c1-13-4-10-16(11-5-13)21-12-17(18-20-3)14-6-8-15(19-2)9-7-14/h4-11H,12H2,1-3H3
InChIKeyIEHSOKPODJUUCM-UHFFFAOYSA-N
XLogP4.15
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-1-(4-methoxyphenyl)-1-(4-methylphenyl)methanimine
CID 11357279
2-methoxyimino-3-(4-methylphenyl)sulfanylpropanoic acid
CID 59068768
1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218862
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
S-(4-methylphenyl) 4-methoxybenzenecarbothioate
CID 797384
(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine
CID 46944422
N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22778694
1-(113C)methoxy-4-methylbenzene
CID 166176950
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine?
The IUPAC name of N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine (CID 1471539) is N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine.
What is the SMILES notation for N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine?
The canonical SMILES for N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine is CON=C(CSc1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine?
The InChIKey is IEHSOKPODJUUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-4-10-16(11-5-13)21-12-17(18-20-3)14-6-8-15(19-2)9-7-14/h4-11H,12H2,1-3H3.
What are the key properties of N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine?
N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine has a molecular weight of 301.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanimine is sourced from PubChem (CID 1471539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).