N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

C23H25N3O4S — CID 5217236

IUPACN-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2cc(OC)ccc2OC)S/C1=N\c1cccc(C)c1
InChIInChI=1S/C23H25N3O4S/c1-5-11-26-22(28)20(31-23(26)24-16-8-6-7-15(2)12-16)14-21(27)25-18-13-17(29-3)9-10-19(18)30-4/h5-10,12-13,20H,1,11,14H2,2-4H3,(H,25,27)/b24-23-
InChIKeyOMZVIAVFGZEJFF-VHXPQNKSSA-N
MW439.54 g/mol
LogP4.16
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (PubChem CID 5217236) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
PubChem CID5217236
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2cc(OC)ccc2OC)S/C1=N\c1cccc(C)c1
InChIInChI=1S/C23H25N3O4S/c1-5-11-26-22(28)20(31-23(26)24-16-8-6-7-15(2)12-16)14-21(27)25-18-13-17(29-3)9-10-19(18)30-4/h5-10,12-13,20H,1,11,14H2,2-4H3,(H,25,27)/b24-23-
InChIKeyOMZVIAVFGZEJFF-VHXPQNKSSA-N
XLogP4.16
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-2-[(5S)-2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715568
2-[(5S)-2-(3-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 7324474
N-(2,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217959
N-(4-fluorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 42990803
2-[2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 21368813
N-(2,5-dimethylphenyl)-2-[3-ethyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2936253
N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217994
N-(2-fluorophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974369
2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715924
N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 18207087
N-(2,5-dimethoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 41056673
N-(3,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 42994073

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide (CID 5217236) is N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is C=CCN1C(=O)C(CC(=O)Nc2cc(OC)ccc2OC)S/C1=N\c1cccc(C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is OMZVIAVFGZEJFF-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-5-11-26-22(28)20(31-23(26)24-16-8-6-7-15(2)12-16)14-21(27)25-18-13-17(29-3)9-10-19(18)30-4/h5-10,12-13,20H,1,11,14H2,2-4H3,(H,25,27)/b24-23-.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 439.54 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 5217236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).