N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

C23H24ClN3O3S — CID 16555633

IUPACN-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1cccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC2CCCO2)c1
InChIInChI=1S/C23H24ClN3O3S/c1-15-5-2-7-17(11-15)26-23-27(14-19-9-4-10-30-19)22(29)20(31-23)13-21(28)25-18-8-3-6-16(24)12-18/h2-3,5-8,11-12,19-20H,4,9-10,13-14H2,1H3,(H,25,28)/b26-23-
InChIKeyNNJBDXSNZCOXAT-RWEWTDSWSA-N
MW457.98 g/mol
LogP4.79
Rot. Bonds6

About N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 16555633) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
PubChem CID16555633
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC NameN-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
SMILESCc1cccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC2CCCO2)c1
InChIInChI=1S/C23H24ClN3O3S/c1-15-5-2-7-17(11-15)26-23-27(14-19-9-4-10-30-19)22(29)20(31-23)13-21(28)25-18-8-3-6-16(24)12-18/h2-3,5-8,11-12,19-20H,4,9-10,13-14H2,1H3,(H,25,28)/b26-23-
InChIKeyNNJBDXSNZCOXAT-RWEWTDSWSA-N
XLogP4.79
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[(5S)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 6597360
2-[(5R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7432493
N-(2,6-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 42990753
2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7796868
N-(4-fluorophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 4858236
2-[(5S)-2-(4-methoxyphenyl)imino-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6597384
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
N-(3-chlorophenyl)-2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 16555653
N-(3-chlorophenyl)-2-[(5R)-3-ethyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 40647344
N-(3-chlorophenyl)-2-[3-(2-morpholin-4-ylethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 5200597
N-(4-acetylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42990782
2-[(5S)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 1280321

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (CID 16555633) is N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is Cc1cccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2CC2CCCO2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is NNJBDXSNZCOXAT-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-15-5-2-7-17(11-15)26-23-27(14-19-9-4-10-30-19)22(29)20(31-23)13-21(28)25-18-8-3-6-16(24)12-18/h2-3,5-8,11-12,19-20H,4,9-10,13-14H2,1H3,(H,25,28)/b26-23-.
What are the key properties of N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?
N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 457.98 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 16555633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).