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

C20H20ClN3O3S — CID 9430014

IUPAC2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C
InChIInChI=1S/C20H20ClN3O3S/c1-12-4-7-14(8-5-12)22-18(25)11-17-19(26)24(2)20(28-17)23-15-10-13(21)6-9-16(15)27-3/h4-10,17H,11H2,1-3H3,(H,22,25)/b23-20+/t17-/m1/s1
InChIKeyNZBNXAOVRYUNBG-LRWZUSMTSA-N
MW417.92 g/mol
LogP4.25
Rot. Bonds5

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

2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 9430014) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID9430014
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C
InChIInChI=1S/C20H20ClN3O3S/c1-12-4-7-14(8-5-12)22-18(25)11-17-19(26)24(2)20(28-17)23-15-10-13(21)6-9-16(15)27-3/h4-10,17H,11H2,1-3H3,(H,22,25)/b23-20+/t17-/m1/s1
InChIKeyNZBNXAOVRYUNBG-LRWZUSMTSA-N
XLogP4.25
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.25
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

2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40830343
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41201265
N-(4-fluorophenyl)-2-[(5R)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1280340
N-(4-chlorophenyl)-2-[(5S)-2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7324470
4-[[2-[2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3136254
2-[(5S)-2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 7323967
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40830577
N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 35177861
2-[(5S)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 40830248
N-(4-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7299819
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5R)-3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1224444

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 9430014) is 2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is COc1ccc(Cl)cc1/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2)C(=O)N1C.
What is the InChIKey of 2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is NZBNXAOVRYUNBG-LRWZUSMTSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-12-4-7-14(8-5-12)22-18(25)11-17-19(26)24(2)20(28-17)23-15-10-13(21)6-9-16(15)27-3/h4-10,17H,11H2,1-3H3,(H,22,25)/b23-20+/t17-/m1/s1.
What are the key properties of 2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 417.92 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9430014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).