2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one

C20H23NO4S — CID 3393859

IUPAC2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one
SMILESCOc1cccc(CN2C(=O)CCSC2c2c(OC)cccc2OC)c1
InChIInChI=1S/C20H23NO4S/c1-23-15-7-4-6-14(12-15)13-21-18(22)10-11-26-20(21)19-16(24-2)8-5-9-17(19)25-3/h4-9,12,20H,10-11,13H2,1-3H3
InChIKeyDYPMDDVJTYZPLO-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.88
Rot. Bonds6

About 2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one

2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one (PubChem CID 3393859) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one
PubChem CID3393859
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one
SMILESCOc1cccc(CN2C(=O)CCSC2c2c(OC)cccc2OC)c1
InChIInChI=1S/C20H23NO4S/c1-23-15-7-4-6-14(12-15)13-21-18(22)10-11-26-20(21)19-16(24-2)8-5-9-17(19)25-3/h4-9,12,20H,10-11,13H2,1-3H3
InChIKeyDYPMDDVJTYZPLO-UHFFFAOYSA-N
XLogP3.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)-1,3-thiazinan-4-one
CID 3742714
3-[(4-methoxyphenyl)methyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3729421
3-[(3-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 23762836
5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one
CID 69083465
2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 87151052
3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 5146903
3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3303570
3-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazinan-4-one
CID 3585616
(5S)-5-ethenyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 57242076
3-[(3,5-dimethoxyphenyl)methyl]-2-(8-hydroxyquinolin-2-yl)-1,3-thiazinan-4-one
CID 3780401
2-(2,5-dimethoxyphenyl)-3-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3675453
3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3842250

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one (CID 3393859) is 2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one is COc1cccc(CN2C(=O)CCSC2c2c(OC)cccc2OC)c1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one?
The InChIKey is DYPMDDVJTYZPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-23-15-7-4-6-14(12-15)13-21-18(22)10-11-26-20(21)19-16(24-2)8-5-9-17(19)25-3/h4-9,12,20H,10-11,13H2,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one?
2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one has a molecular weight of 373.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,3-thiazinan-4-one is sourced from PubChem (CID 3393859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).