N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide

C20H20ClN3O2S — CID 16555653

IUPACN-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
SMILESCCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1
InChIInChI=1S/C20H20ClN3O2S/c1-2-11-24-19(26)17(27-20(24)23-15-8-4-3-5-9-15)13-18(25)22-16-10-6-7-14(21)12-16/h3-10,12,17H,2,11,13H2,1H3,(H,22,25)/b23-20-
InChIKeyLHKHNRKLPCPQPR-ATJXCDBQSA-N
MW401.92 g/mol
LogP4.71
Rot. Bonds6

About N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide

N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide (PubChem CID 16555653) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
PubChem CID16555653
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC NameN-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
SMILESCCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1
InChIInChI=1S/C20H20ClN3O2S/c1-2-11-24-19(26)17(27-20(24)23-15-8-4-3-5-9-15)13-18(25)22-16-10-6-7-14(21)12-16/h3-10,12,17H,2,11,13H2,1H3,(H,22,25)/b23-20-
InChIKeyLHKHNRKLPCPQPR-ATJXCDBQSA-N
XLogP4.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
N-(3-chlorophenyl)-2-[(5S)-2-[3-(dimethylsulfamoyl)phenyl]imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 25420594
N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 5200597
N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974054
N-(3-chlorophenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 40647344
2-[(5R)-3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chlorophenyl)acetamide
CID 41245307
N-(3-chlorophenyl)-2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2367516
N-(3-chlorophenyl)-2-[(5S)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 6597360
2-[2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide
CID 21368812
N-(3-chlorophenyl)-2-[(5R)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 98307906
2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 3136268
N-(4-fluorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 42990807

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide (CID 16555653) is N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide is CCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is LHKHNRKLPCPQPR-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-2-11-24-19(26)17(27-20(24)23-15-8-4-3-5-9-15)13-18(25)22-16-10-6-7-14(21)12-16/h3-10,12,17H,2,11,13H2,1H3,(H,22,25)/b23-20-.
What are the key properties of N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide?
N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 401.92 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 16555653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).