2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide

C22H24N4O6S — CID 41070774

IUPAC2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N/c1ccc(C)cc1
InChIInChI=1S/C22H24N4O6S/c1-14-4-6-15(7-5-14)23-22-25(10-11-31-2)21(28)19(33-22)13-20(27)24-17-9-8-16(32-3)12-18(17)26(29)30/h4-9,12,19H,10-11,13H2,1-3H3,(H,24,27)/b23-22+/t19-/m0/s1
InChIKeyWWRPYVDZSMGKQS-CWJYSFMFSA-N
MW472.52 g/mol
LogP3.52
Rot. Bonds9

About 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 41070774) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID41070774
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC Name2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N/c1ccc(C)cc1
InChIInChI=1S/C22H24N4O6S/c1-14-4-6-15(7-5-14)23-22-25(10-11-31-2)21(28)19(33-22)13-20(27)24-17-9-8-16(32-3)12-18(17)26(29)30/h4-9,12,19H,10-11,13H2,1-3H3,(H,24,27)/b23-22+/t19-/m0/s1
InChIKeyWWRPYVDZSMGKQS-CWJYSFMFSA-N
XLogP3.52
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-chloro-4-fluorophenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 5006304
N-(4-methoxy-2-nitrophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]acetamide
CID 26860462
N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725332
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7090735
2-[2-(1,3-benzodioxol-5-ylimino)-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 3426662
2-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 42990706
N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994108
2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 42994090
N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802747
2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-pentan-3-yl-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 98387100
2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715945
2-[2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 45143247

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 41070774) is 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide is COCCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])S/C1=N/c1ccc(C)cc1.
What is the InChIKey of 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is WWRPYVDZSMGKQS-CWJYSFMFSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-14-4-6-15(7-5-14)23-22-25(10-11-31-2)21(28)19(33-22)13-20(27)24-17-9-8-16(32-3)12-18(17)26(29)30/h4-9,12,19H,10-11,13H2,1-3H3,(H,24,27)/b23-22+/t19-/m0/s1.
What are the key properties of 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 472.52 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 41070774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).