N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

C18H12Cl2N2O4S — CID 17078609

IUPACN-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H12Cl2N2O4S/c19-12-2-1-3-13(20)16(12)21-15(23)9-26-11-6-4-10(5-7-11)8-14-17(24)22-18(25)27-14/h1-8H,9H2,(H,21,23)(H,22,24,25)/b14-8-
InChIKeySCAHDXBPBAAFKE-ZSOIEALJSA-N
MW423.28 g/mol
LogP4.33
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide (PubChem CID 17078609) has the molecular formula C18H12Cl2N2O4S and a molecular weight of 423.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
PubChem CID17078609
Molecular FormulaC18H12Cl2N2O4S
Molecular Weight423.28 g/mol
Exact Mass421.99
IUPAC NameN-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H12Cl2N2O4S/c19-12-2-1-3-13(20)16(12)21-15(23)9-26-11-6-4-10(5-7-11)8-14-17(24)22-18(25)27-14/h1-8H,9H2,(H,21,23)(H,22,24,25)/b14-8-
InChIKeySCAHDXBPBAAFKE-ZSOIEALJSA-N
XLogP4.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide (CID 17078609) is N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The InChIKey is SCAHDXBPBAAFKE-ZSOIEALJSA-N. The full InChI is InChI=1S/C18H12Cl2N2O4S/c19-12-2-1-3-13(20)16(12)21-15(23)9-26-11-6-4-10(5-7-11)8-14-17(24)22-18(25)27-14/h1-8H,9H2,(H,21,23)(H,22,24,25)/b14-8-.
What are the key properties of N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide has a molecular weight of 423.28 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 17078609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).