N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide

C12H11ClN2O4S — CID 651189

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)CSC1=O
InChIInChI=1S/C12H11ClN2O4S/c1-19-9-3-2-7(13)4-8(9)14-10(16)5-15-11(17)6-20-12(15)18/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyDDDRXSXZTABFRN-UHFFFAOYSA-N
MW314.75 g/mol
LogP1.98
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 651189) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID651189
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)CSC1=O
InChIInChI=1S/C12H11ClN2O4S/c1-19-9-3-2-7(13)4-8(9)14-10(16)5-15-11(17)6-20-12(15)18/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyDDDRXSXZTABFRN-UHFFFAOYSA-N
XLogP1.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide (CID 651189) is N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide is COc1ccc(Cl)cc1NC(=O)CN1C(=O)CSC1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is DDDRXSXZTABFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c1-19-9-3-2-7(13)4-8(9)14-10(16)5-15-11(17)6-20-12(15)18/h2-4H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 314.75 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 651189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).