N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C24H25ClF3N3O2S — CID 9498712

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S/C1=N\c1ccccc1
InChIInChI=1S/C24H25ClF3N3O2S/c1-2-3-4-8-13-31-22(33)20(34-23(31)29-17-9-6-5-7-10-17)15-21(32)30-19-14-16(24(26,27)28)11-12-18(19)25/h5-7,9-12,14,20H,2-4,8,13,15H2,1H3,(H,30,32)/b29-23-/t20-/m1/s1
InChIKeyXFBFJGHZFLLGMK-SYYSWTDVSA-N
MW512.00 g/mol
LogP6.90
Rot. Bonds9

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 9498712) has the molecular formula C24H25ClF3N3O2S and a molecular weight of 512.00 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID9498712
Molecular FormulaC24H25ClF3N3O2S
Molecular Weight512.00 g/mol
Exact Mass511.13
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S/C1=N\c1ccccc1
InChIInChI=1S/C24H25ClF3N3O2S/c1-2-3-4-8-13-31-22(33)20(34-23(31)29-17-9-6-5-7-10-17)15-21(32)30-19-14-16(24(26,27)28)11-12-18(19)25/h5-7,9-12,14,20H,2-4,8,13,15H2,1H3,(H,30,32)/b29-23-/t20-/m1/s1
InChIKeyXFBFJGHZFLLGMK-SYYSWTDVSA-N
XLogP6.90
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.00
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5S)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2185155
2-[(5S)-3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27523623
N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 21368655
ethyl 4-[[2-[3-butyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 5237078
2-[(5R)-3-butyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 7973966
2-[(5S)-3-butyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 7973963
N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 16555653
2-[(5S)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26077146
2-[(5R)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26077143
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 18281187
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 3950474
N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 41242549

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 9498712) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is CCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S/C1=N\c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is XFBFJGHZFLLGMK-SYYSWTDVSA-N. The full InChI is InChI=1S/C24H25ClF3N3O2S/c1-2-3-4-8-13-31-22(33)20(34-23(31)29-17-9-6-5-7-10-17)15-21(32)30-19-14-16(24(26,27)28)11-12-18(19)25/h5-7,9-12,14,20H,2-4,8,13,15H2,1H3,(H,30,32)/b29-23-/t20-/m1/s1.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 512.00 g/mol, XLogP of 6.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5R)-3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 9498712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).