5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide

C20H18Cl2N2O3S — CID 22494125

IUPAC5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide
SMILESC=C1NC(=O)C(Cc2ccc3cc2-3)S1.COCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9NOS.C9H9Cl2NO2/c1-6-12-11(13)10(14-6)5-8-3-2-7-4-9(7)8;1-14-5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4,10H,1,5H2,(H,12,13);2-4H,5H2,1H3,(H,12,13)
InChIKeyGETVSAFKVVWHQJ-UHFFFAOYSA-N
MW437.35 g/mol
LogP4.49
Rot. Bonds5

About 5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide

5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide (PubChem CID 22494125) has the molecular formula C20H18Cl2N2O3S and a molecular weight of 437.35 g/mol. Its IUPAC name is 5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide.

Molecular Properties

Compound Name5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide
PubChem CID22494125
Molecular FormulaC20H18Cl2N2O3S
Molecular Weight437.35 g/mol
Exact Mass436.04
IUPAC Name5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide
SMILESC=C1NC(=O)C(Cc2ccc3cc2-3)S1.COCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9NOS.C9H9Cl2NO2/c1-6-12-11(13)10(14-6)5-8-3-2-7-4-9(7)8;1-14-5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4,10H,1,5H2,(H,12,13);2-4H,5H2,1H3,(H,12,13)
InChIKeyGETVSAFKVVWHQJ-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide with MolForge

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Related Compounds

N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(2,4-dichlorophenyl)-2-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide
CID 20777438
N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178144
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide
CID 55697658
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(2,4-dichlorophenyl)propanamide
CID 923083
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 78899895
[2-(2,4-dichloroanilino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
CID 2363583
N-(4-chloro-2-formamidophenyl)-2-methoxyacetamide
CID 168652286

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide?
The IUPAC name of 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) is 5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide.
What is the SMILES notation for 5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide?
The canonical SMILES for 5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide is C=C1NC(=O)C(Cc2ccc3cc2-3)S1.COCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide?
The InChIKey is GETVSAFKVVWHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS.C9H9Cl2NO2/c1-6-12-11(13)10(14-6)5-8-3-2-7-4-9(7)8;1-14-5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4,10H,1,5H2,(H,12,13);2-4H,5H2,1H3,(H,12,13).
What are the key properties of 5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide?
5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide has a molecular weight of 437.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[3.1.0]hexa-1,3,5-trienylmethyl)-2-methylidene-1,3-thiazolidin-4-one;N-(2,4-dichlorophenyl)-2-methoxyacetamide is sourced from PubChem (CID 22494125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).