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

C20H20ClN3O2S — CID 3474920

IUPACN-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C
InChIInChI=1S/C20H20ClN3O2S/c1-12-6-4-5-7-15(12)23-20-24(3)19(26)17(27-20)11-18(25)22-16-9-8-14(21)10-13(16)2/h4-10,17H,11H2,1-3H3,(H,22,25)/b23-20-
InChIKeySIKRRANROLAKGJ-ATJXCDBQSA-N
MW401.92 g/mol
LogP4.55
Rot. Bonds4

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

N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3474920) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID3474920
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C
InChIInChI=1S/C20H20ClN3O2S/c1-12-6-4-5-7-15(12)23-20-24(3)19(26)17(27-20)11-18(25)22-16-9-8-14(21)10-13(16)2/h4-10,17H,11H2,1-3H3,(H,22,25)/b23-20-
InChIKeySIKRRANROLAKGJ-ATJXCDBQSA-N
XLogP4.55
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 3474920) is N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(Cl)cc2C)C(=O)N1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is SIKRRANROLAKGJ-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-12-6-4-5-7-15(12)23-20-24(3)19(26)17(27-20)11-18(25)22-16-9-8-14(21)10-13(16)2/h4-10,17H,11H2,1-3H3,(H,22,25)/b23-20-.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 401.92 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3474920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).