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

C21H22ClN3O3S — CID 42993895

IUPACN-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccccc1C
InChIInChI=1S/C21H22ClN3O3S/c1-14-5-3-4-6-17(14)24-21-25(11-12-28-2)20(27)18(29-21)13-19(26)23-16-9-7-15(22)8-10-16/h3-10,18H,11-13H2,1-2H3,(H,23,26)/b24-21-
InChIKeyABWFLZUCYFETNL-FLFQWRMESA-N
MW431.95 g/mol
LogP4.26
Rot. Bonds7

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

N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42993895) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID42993895
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC NameN-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccccc1C
InChIInChI=1S/C21H22ClN3O3S/c1-14-5-3-4-6-17(14)24-21-25(11-12-28-2)20(27)18(29-21)13-19(26)23-16-9-7-15(22)8-10-16/h3-10,18H,11-13H2,1-2H3,(H,23,26)/b24-21-
InChIKeyABWFLZUCYFETNL-FLFQWRMESA-N
XLogP4.26
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.26
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)-3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716074
2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2385516
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 18267547
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994042
2-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
2-[2-(3,4-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 46802746
2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4028853
2-[2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 42990706
N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2700436
N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217994
N-(2,4-difluorophenyl)-2-[2-(2,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994000
N-(2,5-dimethylphenyl)-2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974495

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 42993895) is N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCCN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccccc1C.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is ABWFLZUCYFETNL-FLFQWRMESA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-14-5-3-4-6-17(14)24-21-25(11-12-28-2)20(27)18(29-21)13-19(26)23-16-9-7-15(22)8-10-16/h3-10,18H,11-13H2,1-2H3,(H,23,26)/b24-21-.
What are the key properties of N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 431.95 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42993895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).