2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C21H22ClN3O3S — CID 2385516

IUPAC2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O3S/c1-28-13-5-12-25-20(27)18(14-19(26)23-16-6-3-2-4-7-16)29-21(25)24-17-10-8-15(22)9-11-17/h2-4,6-11,18H,5,12-14H2,1H3,(H,23,26)/b24-21-/t18-/m1/s1
InChIKeyKTLDQYOPSVVQCI-GOTYSUTNSA-N
MW431.95 g/mol
LogP4.34
Rot. Bonds8

About 2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 2385516) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID2385516
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O3S/c1-28-13-5-12-25-20(27)18(14-19(26)23-16-6-3-2-4-7-16)29-21(25)24-17-10-8-15(22)9-11-17/h2-4,6-11,18H,5,12-14H2,1H3,(H,23,26)/b24-21-/t18-/m1/s1
InChIKeyKTLDQYOPSVVQCI-GOTYSUTNSA-N
XLogP4.34
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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
2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 5051918
N-(4-acetylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42990786
N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42993895
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 18206216
N-(4-chlorophenyl)-2-[(5S)-2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7324470
2-[(5R)-3-(3-ethoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715685
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 16555653
N-(2,3-dichlorophenyl)-2-[(5S)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2700513
N-(4-methoxyphenyl)-2-[4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 3458943

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 2385516) is 2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is COCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1.
What is the InChIKey of 2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is KTLDQYOPSVVQCI-GOTYSUTNSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-28-13-5-12-25-20(27)18(14-19(26)23-16-6-3-2-4-7-16)29-21(25)24-17-10-8-15(22)9-11-17/h2-4,6-11,18H,5,12-14H2,1H3,(H,23,26)/b24-21-/t18-/m1/s1.
What are the key properties of 2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 431.95 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 2385516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).