N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C21H22ClN3O3S — CID 2700436

IUPACN-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\c1ccccc1
InChIInChI=1S/C21H22ClN3O3S/c1-14-16(22)9-6-10-17(14)24-19(26)13-18-20(27)25(11-12-28-2)21(29-18)23-15-7-4-3-5-8-15/h3-10,18H,11-13H2,1-2H3,(H,24,26)/b23-21-/t18-/m1/s1
InChIKeySCCMPIVLGDOQHL-GLEDVZQVSA-N
MW431.95 g/mol
LogP4.26
Rot. Bonds7

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

N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 2700436) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID2700436
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\c1ccccc1
InChIInChI=1S/C21H22ClN3O3S/c1-14-16(22)9-6-10-17(14)24-19(26)13-18-20(27)25(11-12-28-2)21(29-18)23-15-7-4-3-5-8-15/h3-10,18H,11-13H2,1-2H3,(H,24,26)/b23-21-/t18-/m1/s1
InChIKeySCCMPIVLGDOQHL-GLEDVZQVSA-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

N-(2,3-dichlorophenyl)-2-[(5S)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2700513
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3381069
N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802747
N-(3-chloro-2-methylphenyl)-2-[(5S)-3-(3-morpholin-4-ylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 26860216
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5S)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2185155
N-(3-chloro-2-methylphenyl)-2-[2-(2,4-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802671
N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1217928
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802663
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 18206216
2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 42994090
2-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 3136268

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 2700436) is N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is SCCMPIVLGDOQHL-GLEDVZQVSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-14-16(22)9-6-10-17(14)24-19(26)13-18-20(27)25(11-12-28-2)21(29-18)23-15-7-4-3-5-8-15/h3-10,18H,11-13H2,1-2H3,(H,24,26)/b23-21-/t18-/m1/s1.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-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-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 2700436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).