N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H19Cl2N3O3S — CID 41244395

IUPACN-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C)cc1
InChIInChI=1S/C20H19Cl2N3O3S/c1-3-28-16-6-4-14(5-7-16)24-20-25(2)19(27)17(29-20)11-18(26)23-15-9-12(21)8-13(22)10-15/h4-10,17H,3,11H2,1-2H3,(H,23,26)/b24-20+/t17-/m0/s1
InChIKeyYOJVUQPZFXSQPG-OVJLLXBISA-N
MW452.36 g/mol
LogP4.98
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 41244395) has the molecular formula C20H19Cl2N3O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID41244395
Molecular FormulaC20H19Cl2N3O3S
Molecular Weight452.36 g/mol
Exact Mass451.05
IUPAC NameN-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C)cc1
InChIInChI=1S/C20H19Cl2N3O3S/c1-3-28-16-6-4-14(5-7-16)24-20-25(2)19(27)17(29-20)11-18(26)23-15-9-12(21)8-13(22)10-15/h4-10,17H,3,11H2,1-2H3,(H,23,26)/b24-20+/t17-/m0/s1
InChIKeyYOJVUQPZFXSQPG-OVJLLXBISA-N
XLogP4.98
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
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-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982350
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 21368848
N-(4-chlorophenyl)-2-[(5S)-2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7324470
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
CID 41242519
N-(4-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7299819
N-(3,5-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 42996523
2-[(5S)-2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 7323967
N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 41242549
N-(3-ethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 28718014
methyl 4-[[(5R)-3-methyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 29080577
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 21368527

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 41244395) is N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCOc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N2C)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is YOJVUQPZFXSQPG-OVJLLXBISA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S/c1-3-28-16-6-4-14(5-7-16)24-20-25(2)19(27)17(29-20)11-18(26)23-15-9-12(21)8-13(22)10-15/h4-10,17H,3,11H2,1-2H3,(H,23,26)/b24-20+/t17-/m0/s1.
What are the key properties of N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 452.36 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 41244395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).