N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

C25H25ClN2O3S — CID 92948486

About N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 92948486) has the molecular formula C25H25ClN2O3S and a molecular weight of 469.01 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
• PubChem CID: 92948486
• Molecular Formula: C25H25ClN2O3S
• Molecular Weight: 469.01 g/mol
• Exact Mass: 468.13
• IUPAC Name: N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
• SMILES: CC[C@@H](C)NC(=O)Cn1c(=O)/c(=C/c2ccc(C)cc2)s/c1=C\C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C25H25ClN2O3S/c1-4-17(3)27-23(30)15-28-24(14-21(29)19-9-11-20(26)12-10-19)32-22(25(28)31)13-18-7-5-16(2)6-8-18/h5-14,17H,4,15H2,1-3H3,(H,27,30)/b22-13-,24-14-/t17-/m1/s1
• InChIKey: ZDJNVMYGOBWCEB-FKRBPHJHSA-N
• XLogP: 3.28
• TPSA: 68.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.01
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?

The IUPAC name of N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 92948486) is N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.

What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?

The canonical SMILES for N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is CC[C@@H](C)NC(=O)Cn1c(=O)/c(=C/c2ccc(C)cc2)s/c1=C\C(=O)c1ccc(Cl)cc1.

What is the InChIKey of N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?

The InChIKey is ZDJNVMYGOBWCEB-FKRBPHJHSA-N. The full InChI is InChI=1S/C25H25ClN2O3S/c1-4-17(3)27-23(30)15-28-24(14-21(29)19-9-11-20(26)12-10-19)32-22(25(28)31)13-18-7-5-16(2)6-8-18/h5-14,17H,4,15H2,1-3H3,(H,27,30)/b22-13-,24-14-/t17-/m1/s1.

What are the key properties of N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?

N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 469.01 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-2-[(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 92948486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).