2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

C20H22N2O3S — CID 8746575

IUPAC2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCCS/C1=N\c1ccccc1C
InChIInChI=1S/C20H22N2O3S/c1-15-8-3-4-9-16(15)21-20-22(12-7-13-26-20)19(23)14-25-18-11-6-5-10-17(18)24-2/h3-6,8-11H,7,12-14H2,1-2H3/b21-20-
InChIKeyOPCTVXOVWPDEFE-MRCUWXFGSA-N
MW370.47 g/mol
LogP4.04
Rot. Bonds5

About 2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (PubChem CID 8746575) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
PubChem CID8746575
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCCS/C1=N\c1ccccc1C
InChIInChI=1S/C20H22N2O3S/c1-15-8-3-4-9-16(15)21-20-22(12-7-13-26-20)19(23)14-25-18-11-6-5-10-17(18)24-2/h3-6,8-11H,7,12-14H2,1-2H3/b21-20-
InChIKeyOPCTVXOVWPDEFE-MRCUWXFGSA-N
XLogP4.04
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 7947850
2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 7947760
1-[4-[2-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 8746600
1-[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 18286293
2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948461
1-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(4-nitrophenoxy)ethanone
CID 18226084
1-[2-(4-acetylphenyl)imino-1,3-thiazinan-3-yl]-2-naphthalen-1-yloxyethanone
CID 8895629
2-[3-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]isoindole-1,3-dione
CID 3275380
2-(4-chloro-2-methylphenoxy)-1-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone
CID 7924117
1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-2-(4-methoxyphenyl)ethanone
CID 3971741
[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 7947771
1-[2-(2-methoxyphenoxy)acetyl]-8-methyl-2,3-dihydroquinolin-4-one
CID 110635495

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (CID 8746575) is 2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is COc1ccccc1OCC(=O)N1CCCS/C1=N\c1ccccc1C.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The InChIKey is OPCTVXOVWPDEFE-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-8-3-4-9-16(15)21-20-22(12-7-13-26-20)19(23)14-25-18-11-6-5-10-17(18)24-2/h3-6,8-11H,7,12-14H2,1-2H3/b21-20-.
What are the key properties of 2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone has a molecular weight of 370.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is sourced from PubChem (CID 8746575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).