2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide

C22H25N3O2S — CID 5128316

IUPAC2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1S/C(=N\c2ccccc2)N(C(C)(C)C)C1=O
InChIInChI=1S/C22H25N3O2S/c1-15-10-8-9-13-17(15)24-19(26)14-18-20(27)25(22(2,3)4)21(28-18)23-16-11-6-5-7-12-16/h5-13,18H,14H2,1-4H3,(H,24,26)/b23-21-
InChIKeyHXMJPQWFSMGKJN-LNVKXUELSA-N
MW395.53 g/mol
LogP4.75
Rot. Bonds4

About 2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide

2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide (PubChem CID 5128316) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
PubChem CID5128316
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1S/C(=N\c2ccccc2)N(C(C)(C)C)C1=O
InChIInChI=1S/C22H25N3O2S/c1-15-10-8-9-13-17(15)24-19(26)14-18-20(27)25(22(2,3)4)21(28-18)23-16-11-6-5-7-12-16/h5-13,18H,14H2,1-4H3,(H,24,26)/b23-21-
InChIKeyHXMJPQWFSMGKJN-LNVKXUELSA-N
XLogP4.75
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.75
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-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715739
2-[(5S)-3-methyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 9429999
N-(2,4-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 7324019
2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715830
2-[(5S)-3-[(1S)-1-cyclopropylethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8859526
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 18206216
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716009
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
N-(2,6-dimethylphenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 2185030
[2-[[2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetyl]amino]phenyl] acetate
CID 21368536
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 42990588

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide (CID 5128316) is 2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CC1S/C(=N\c2ccccc2)N(C(C)(C)C)C1=O.
What is the InChIKey of 2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is HXMJPQWFSMGKJN-LNVKXUELSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15-10-8-9-13-17(15)24-19(26)14-18-20(27)25(22(2,3)4)21(28-18)23-16-11-6-5-7-12-16/h5-13,18H,14H2,1-4H3,(H,24,26)/b23-21-.
What are the key properties of 2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide?
2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 395.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 5128316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).