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

C21H23N3O3S — CID 99806125

IUPACN-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILES[H]/N=C1\S[C@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1c1ccc(CC)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-14-5-9-16(10-6-14)24-20(26)18(28-21(24)22)13-19(25)23-15-7-11-17(12-8-15)27-4-2/h5-12,18,22H,3-4,13H2,1-2H3,(H,23,25)/b22-21-/t18-/m1/s1
InChIKeyBHMOORAIHYOVRM-UGNPLGLKSA-N
MW397.50 g/mol
LogP4.06
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 99806125) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID99806125
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILES[H]/N=C1\S[C@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1c1ccc(CC)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-14-5-9-16(10-6-14)24-20(26)18(28-21(24)22)13-19(25)23-15-7-11-17(12-8-15)27-4-2/h5-12,18,22H,3-4,13H2,1-2H3,(H,23,25)/b22-21-/t18-/m1/s1
InChIKeyBHMOORAIHYOVRM-UGNPLGLKSA-N
XLogP4.06
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
CID 3740688
ethyl 4-[[2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 99806127
2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 99806121
5-[[2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 43863826
N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 18891991
2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
CID 43863835
N-(4-ethylphenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774472
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701853
2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 5037401
N-(4-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220298
N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774827
N-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982350

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 99806125) is N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is [H]/N=C1\S[C@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1c1ccc(CC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is BHMOORAIHYOVRM-UGNPLGLKSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-14-5-9-16(10-6-14)24-20(26)18(28-21(24)22)13-19(25)23-15-7-11-17(12-8-15)27-4-2/h5-12,18,22H,3-4,13H2,1-2H3,(H,23,25)/b22-21-/t18-/m1/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 99806125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).