N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C21H21Cl2N3O2S — CID 11836299

IUPACN-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)CN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1
InChIInChI=1S/C21H21Cl2N3O2S/c1-13(2)12-26-20(28)18(29-21(26)24-15-6-4-3-5-7-15)11-19(27)25-17-9-8-14(22)10-16(17)23/h3-10,13,18H,11-12H2,1-2H3,(H,25,27)/b24-21-
InChIKeySKIDEUQYAPVLAY-FLFQWRMESA-N
MW450.39 g/mol
LogP5.61
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 11836299) has the molecular formula C21H21Cl2N3O2S and a molecular weight of 450.39 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID11836299
Molecular FormulaC21H21Cl2N3O2S
Molecular Weight450.39 g/mol
Exact Mass449.07
IUPAC NameN-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)CN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1
InChIInChI=1S/C21H21Cl2N3O2S/c1-13(2)12-26-20(28)18(29-21(26)24-15-6-4-3-5-7-15)11-19(27)25-17-9-8-14(22)10-16(17)23/h3-10,13,18H,11-12H2,1-2H3,(H,25,27)/b24-21-
InChIKeySKIDEUQYAPVLAY-FLFQWRMESA-N
XLogP5.61
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.39
LogP ≤ 55.61
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

N-(2-bromophenyl)-2-[(5R)-2-(3-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2371292
2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715830
N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 8715702
2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715739
N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 16555653
N-(2,4-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 7324019
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 46802720
N-(5-chloro-2-methoxyphenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 42993693
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368849
N-(2,3-dichlorophenyl)-2-[(5S)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2700513
N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2700436

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 11836299) is N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is CC(C)CN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is SKIDEUQYAPVLAY-FLFQWRMESA-N. The full InChI is InChI=1S/C21H21Cl2N3O2S/c1-13(2)12-26-20(28)18(29-21(26)24-15-6-4-3-5-7-15)11-19(27)25-17-9-8-14(22)10-16(17)23/h3-10,13,18H,11-12H2,1-2H3,(H,25,27)/b24-21-.
What are the key properties of N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 450.39 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 11836299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).