2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide

C21H29N3O2S — CID 3524942

IUPAC2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2)S/C1=N/C1CCCCCC1
InChIInChI=1S/C21H29N3O2S/c1-3-24-20(26)18(14-19(25)22-17-12-10-15(2)11-13-17)27-21(24)23-16-8-6-4-5-7-9-16/h10-13,16,18H,3-9,14H2,1-2H3,(H,22,25)/b23-21+
InChIKeyJNZCUNACGHGWKK-XTQSDGFTSA-N
MW387.55 g/mol
LogP4.37
Rot. Bonds5

About 2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide

2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide (PubChem CID 3524942) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
PubChem CID3524942
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccc(C)cc2)S/C1=N/C1CCCCCC1
InChIInChI=1S/C21H29N3O2S/c1-3-24-20(26)18(14-19(25)22-17-12-10-15(2)11-13-17)27-21(24)23-16-8-6-4-5-7-9-16/h10-13,16,18H,3-9,14H2,1-2H3,(H,22,25)/b23-21+
InChIKeyJNZCUNACGHGWKK-XTQSDGFTSA-N
XLogP4.37
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.37
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-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 18892023
N-(4-chlorophenyl)-2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 51670297
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2443129
2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 2892644
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
2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide
CID 2998159
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348562
2-[(5S)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 51665664
N-(4-methylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715863
2-[(5S)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715778

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide (CID 3524942) is 2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide is CCN1C(=O)C(CC(=O)Nc2ccc(C)cc2)S/C1=N/C1CCCCCC1.
What is the InChIKey of 2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is JNZCUNACGHGWKK-XTQSDGFTSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-3-24-20(26)18(14-19(25)22-17-12-10-15(2)11-13-17)27-21(24)23-16-8-6-4-5-7-9-16/h10-13,16,18H,3-9,14H2,1-2H3,(H,22,25)/b23-21+.
What are the key properties of 2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 387.55 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3524942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).