2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide

C22H25N3O4S — CID 146088209

IUPAC2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
SMILESCNC(=O)CC1S/C(=N\c2ccccc2OC)N(Cc2ccc(OC)c(C)c2)C1=O
InChIInChI=1S/C22H25N3O4S/c1-14-11-15(9-10-17(14)28-3)13-25-21(27)19(12-20(26)23-2)30-22(25)24-16-7-5-6-8-18(16)29-4/h5-11,19H,12-13H2,1-4H3,(H,23,26)/b24-22-
InChIKeyCVTJYLISDLRLLI-GYHWCHFESA-N
MW427.53 g/mol
LogP3.28
Rot. Bonds7

About 2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide

2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide (PubChem CID 146088209) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
PubChem CID146088209
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
SMILESCNC(=O)CC1S/C(=N\c2ccccc2OC)N(Cc2ccc(OC)c(C)c2)C1=O
InChIInChI=1S/C22H25N3O4S/c1-14-11-15(9-10-17(14)28-3)13-25-21(27)19(12-20(26)23-2)30-22(25)24-16-7-5-6-8-18(16)29-4/h5-11,19H,12-13H2,1-4H3,(H,23,26)/b24-22-
InChIKeyCVTJYLISDLRLLI-GYHWCHFESA-N
XLogP3.28
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 42990588
N-(3-ethoxyphenyl)-2-[3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3941970
N-(2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 8716052
2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
CID 5033331
2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
CID 42954767
2-[(5S)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 41244936
2-[(5S)-3-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 41242668
2-[(5S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 2393099
2-[(5R)-3-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 2393096
N-(3-ethoxyphenyl)-2-[(5R)-2-(2-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41244488
ethyl 4-[[(5S)-5-(2-amino-2-oxoethyl)-3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 28698409
4-[[2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 1498403

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide (CID 146088209) is 2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide is CNC(=O)CC1S/C(=N\c2ccccc2OC)N(Cc2ccc(OC)c(C)c2)C1=O.
What is the InChIKey of 2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
The InChIKey is CVTJYLISDLRLLI-GYHWCHFESA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-14-11-15(9-10-17(14)28-3)13-25-21(27)19(12-20(26)23-2)30-22(25)24-16-7-5-6-8-18(16)29-4/h5-11,19H,12-13H2,1-4H3,(H,23,26)/b24-22-.
What are the key properties of 2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide?
2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide has a molecular weight of 427.53 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxy-3-methylphenyl)methyl]-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 146088209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).