2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

C22H26N2O4S — CID 7947760

IUPAC2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCCS/C1=N\c1cc(C)ccc1OC
InChIInChI=1S/C22H26N2O4S/c1-4-27-19-8-5-6-9-20(19)28-15-21(25)24-12-7-13-29-22(24)23-17-14-16(2)10-11-18(17)26-3/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3/b23-22-
InChIKeyPOAMUEAFRZHMRB-FCQUAONHSA-N
MW414.53 g/mol
LogP4.43
Rot. Bonds7

About 2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone

2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (PubChem CID 7947760) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
PubChem CID7947760
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCCS/C1=N\c1cc(C)ccc1OC
InChIInChI=1S/C22H26N2O4S/c1-4-27-19-8-5-6-9-20(19)28-15-21(25)24-12-7-13-29-22(24)23-17-14-16(2)10-11-18(17)26-3/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3/b23-22-
InChIKeyPOAMUEAFRZHMRB-FCQUAONHSA-N
XLogP4.43
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 8746575
2-(2-fluorophenyl)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 3350304
2-[3-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-3-oxopropyl]isoindole-1,3-dione
CID 3275380
1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-2-(4-methoxyphenyl)ethanone
CID 3971741
1-[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 18286293
2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 7947850
1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 3380810
1-[4-[2-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 8746600
2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948461
1-[2-(4-acetylphenyl)imino-1,3-thiazinan-3-yl]-2-naphthalen-1-yloxyethanone
CID 8895629
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone
CID 7943468

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The IUPAC name of 2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone (CID 7947760) is 2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The canonical SMILES for 2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is CCOc1ccccc1OCC(=O)N1CCCS/C1=N\c1cc(C)ccc1OC.
What is the InChIKey of 2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
The InChIKey is POAMUEAFRZHMRB-FCQUAONHSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-4-27-19-8-5-6-9-20(19)28-15-21(25)24-12-7-13-29-22(24)23-17-14-16(2)10-11-18(17)26-3/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3/b23-22-.
What are the key properties of 2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone?
2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone has a molecular weight of 414.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone is sourced from PubChem (CID 7947760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).