N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C22H24ClN3O2S — CID 1217928

About N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 1217928) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 1217928
• Molecular Formula: C22H24ClN3O2S
• Molecular Weight: 429.97 g/mol
• Exact Mass: 429.13
• IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: CCc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC)cc1
• InChI: InChI=1S/C22H24ClN3O2S/c1-4-15-9-11-16(12-10-15)24-22-26(5-2)21(28)19(29-22)13-20(27)25-18-8-6-7-17(23)14(18)3/h6-12,19H,4-5,13H2,1-3H3,(H,25,27)/b24-22-/t19-/m1/s1
• InChIKey: PRHZXBLIJBDRNO-MAVBTGMRSA-N
• XLogP: 5.19
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.97
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 1217928) is N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(Cl)c3C)C(=O)N2CC)cc1.

What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is PRHZXBLIJBDRNO-MAVBTGMRSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-4-15-9-11-16(12-10-15)24-22-26(5-2)21(28)19(29-22)13-20(27)25-18-8-6-7-17(23)14(18)3/h6-12,19H,4-5,13H2,1-3H3,(H,25,27)/b24-22-/t19-/m1/s1.

What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?

N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 429.97 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 1217928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).