N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H21N3O5S — CID 135691504

IUPACN-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3cc(OC)ccc3OC)S2)c1
InChIInChI=1S/C20H21N3O5S/c1-26-13-6-4-5-12(9-13)21-20-23-19(25)17(29-20)11-18(24)22-15-10-14(27-2)7-8-16(15)28-3/h4-10,17H,11H2,1-3H3,(H,22,24)(H,21,23,25)/t17-/m1/s1
InChIKeyNHQFWQGNJSIFAO-QGZVFWFLSA-N
MW415.47 g/mol
LogP2.96
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135691504) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135691504
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3cc(OC)ccc3OC)S2)c1
InChIInChI=1S/C20H21N3O5S/c1-26-13-6-4-5-12(9-13)21-20-23-19(25)17(29-20)11-18(24)22-15-10-14(27-2)7-8-16(15)28-3/h4-10,17H,11H2,1-3H3,(H,22,24)(H,21,23,25)/t17-/m1/s1
InChIKeyNHQFWQGNJSIFAO-QGZVFWFLSA-N
XLogP2.96
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691540
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692146
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691624
2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135464066
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135487927
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 135481479
2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704975
2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704934
2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135463838
2-[(5S)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704933
N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1289338
N-(2-methoxy-4-nitrophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135953982

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135691504) is N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3cc(OC)ccc3OC)S2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is NHQFWQGNJSIFAO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-26-13-6-4-5-12(9-13)21-20-23-19(25)17(29-20)11-18(24)22-15-10-14(27-2)7-8-16(15)28-3/h4-10,17H,11H2,1-3H3,(H,22,24)(H,21,23,25)/t17-/m1/s1.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 415.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135691504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).