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

C21H23N3O5S — CID 2936993

IUPACN-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(/N=C2/SC(CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C)cc1
InChIInChI=1S/C21H23N3O5S/c1-24-20(26)18(30-21(24)22-13-5-7-14(27-2)8-6-13)12-19(25)23-16-10-9-15(28-3)11-17(16)29-4/h5-11,18H,12H2,1-4H3,(H,23,25)/b22-21+
InChIKeyJFLFKCRHKNJPCJ-QURGRASLSA-N
MW429.50 g/mol
LogP3.30
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 2936993) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID2936993
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(/N=C2/SC(CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C)cc1
InChIInChI=1S/C21H23N3O5S/c1-24-20(26)18(30-21(24)22-13-5-7-14(27-2)8-6-13)12-19(25)23-16-10-9-15(28-3)11-17(16)29-4/h5-11,18H,12H2,1-4H3,(H,23,25)/b22-21+
InChIKeyJFLFKCRHKNJPCJ-QURGRASLSA-N
XLogP3.30
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 8085071
N-(2,4-dimethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]thio}acetamide
CID 3239306
2-[(2E)-2-[(4-Ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-YL]-N-phenylacetamide
CID 135472706
2-(4,6-Dihydroxy-pyrimidin-2-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 864696
3,3'-thiobis[N-(2,4-dimethoxyphenyl)propanamide]
CID 2933269
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2999941
[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl] N-(4-fluorophenyl)-N'-methylcarbamimidothioate
CID 3126858
(2Z)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139951
N-(4-fluorophenyl)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139957
N-(2,4-dimethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
CID 3159758
(E)-N-Ethyl-N'-(3-fluorophenyl)-1-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-YL]sulfanyl}methanimidamide
CID 3239631
2-[[6-(2,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N,N-diethylacetamide
CID 3256619

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 2936993) is N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(OC)cc3OC)C(=O)N2C)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is JFLFKCRHKNJPCJ-QURGRASLSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-24-20(26)18(30-21(24)22-13-5-7-14(27-2)8-6-13)12-19(25)23-16-10-9-15(28-3)11-17(16)29-4/h5-11,18H,12H2,1-4H3,(H,23,25)/b22-21+.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 429.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 2936993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).