N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide

C19H16Cl2N2O4S — CID 20777438

IUPACN-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(CC2SC(=O)NC2=O)cc1CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O4S/c1-27-15-5-2-10(7-16-18(25)23-19(26)28-16)6-11(15)8-17(24)22-14-4-3-12(20)9-13(14)21/h2-6,9,16H,7-8H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyJDCXCVJDIBWZQI-UHFFFAOYSA-N
MW439.32 g/mol
LogP4.08
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide

N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide (PubChem CID 20777438) has the molecular formula C19H16Cl2N2O4S and a molecular weight of 439.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide
PubChem CID20777438
Molecular FormulaC19H16Cl2N2O4S
Molecular Weight439.32 g/mol
Exact Mass438.02
IUPAC NameN-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(CC2SC(=O)NC2=O)cc1CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O4S/c1-27-15-5-2-10(7-16-18(25)23-19(26)28-16)6-11(15)8-17(24)22-14-4-3-12(20)9-13(14)21/h2-6,9,16H,7-8H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyJDCXCVJDIBWZQI-UHFFFAOYSA-N
XLogP4.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-2-oxoethyl]-2-methoxybenzamide
CID 22418133
N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-hydroxyphenyl]-2-(4-fluorophenyl)acetamide
CID 10571429
2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
5-chloro-N-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]propyl]-2-methoxybenzamide
CID 22418104
2-(3-chlorophenyl)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]acetamide
CID 139774309
N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2-methoxy-4-(trifluoromethyl)benzamide
CID 20777453
N-[[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 20777451
5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 22494125
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dichlorophenyl)acetamide
CID 30845420
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55434606
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide (CID 20777438) is N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide is COc1ccc(CC2SC(=O)NC2=O)cc1CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide?
The InChIKey is JDCXCVJDIBWZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4S/c1-27-15-5-2-10(7-16-18(25)23-19(26)28-16)6-11(15)8-17(24)22-14-4-3-12(20)9-13(14)21/h2-6,9,16H,7-8H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide?
N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide has a molecular weight of 439.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 20777438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).