N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C20H26ClN3O2S — CID 45145533

IUPACN-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1\SC(CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C20H26ClN3O2S/c1-3-22-20-24(15-7-5-4-6-8-15)19(26)17(27-20)12-18(25)23-14-10-9-13(2)16(21)11-14/h9-11,15,17H,3-8,12H2,1-2H3,(H,23,25)/b22-20-
InChIKeyLGNLHLQKVNPMOV-XDOYNYLZSA-N
MW407.97 g/mol
LogP4.63
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 45145533) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID45145533
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1\SC(CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C20H26ClN3O2S/c1-3-22-20-24(15-7-5-4-6-8-15)19(26)17(27-20)12-18(25)23-14-10-9-13(2)16(21)11-14/h9-11,15,17H,3-8,12H2,1-2H3,(H,23,25)/b22-20-
InChIKeyLGNLHLQKVNPMOV-XDOYNYLZSA-N
XLogP4.63
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 54.63
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)-3-cycloheptyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1217857
2-[(5R)-3-cyclopentyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 1285662
N-(4-chlorophenyl)-2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 51670297
N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 4622176
N-(3-chlorophenyl)-2-[3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 16555650
N-(3-chlorophenyl)-2-[(5R)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2362974
2-[(5S)-3-cyclopropyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2701235
N-(3-chloro-4-methoxyphenyl)-2-(3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 42993771
2-[(5S)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715778
2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51858935
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 51663556
N-(3-chloro-4-methylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996535

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 45145533) is N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CC/N=C1\SC(CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1C1CCCCC1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is LGNLHLQKVNPMOV-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H26ClN3O2S/c1-3-22-20-24(15-7-5-4-6-8-15)19(26)17(27-20)12-18(25)23-14-10-9-13(2)16(21)11-14/h9-11,15,17H,3-8,12H2,1-2H3,(H,23,25)/b22-20-.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 407.97 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 45145533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).