N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

C14H9Cl4N3O3S — CID 10551124

IUPACN-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESO=C(COc1nc(Cl)c(Cl)cc1Cl)NN1C(=O)C(Cl)C1c1cccs1
InChIInChI=1S/C14H9Cl4N3O3S/c15-6-4-7(16)13(19-12(6)18)24-5-9(22)20-21-11(10(17)14(21)23)8-2-1-3-25-8/h1-4,10-11H,5H2,(H,20,22)
InChIKeyWUTHZMDBNUIAPU-UHFFFAOYSA-N
MW441.12 g/mol
LogP3.70
Rot. Bonds5

About N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 10551124) has the molecular formula C14H9Cl4N3O3S and a molecular weight of 441.12 g/mol. Its IUPAC name is N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID10551124
Molecular FormulaC14H9Cl4N3O3S
Molecular Weight441.12 g/mol
Exact Mass438.91
IUPAC NameN-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESO=C(COc1nc(Cl)c(Cl)cc1Cl)NN1C(=O)C(Cl)C1c1cccs1
InChIInChI=1S/C14H9Cl4N3O3S/c15-6-4-7(16)13(19-12(6)18)24-5-9(22)20-21-11(10(17)14(21)23)8-2-1-3-25-8/h1-4,10-11H,5H2,(H,20,22)
InChIKeyWUTHZMDBNUIAPU-UHFFFAOYSA-N
XLogP3.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.12
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 10551124) is N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is O=C(COc1nc(Cl)c(Cl)cc1Cl)NN1C(=O)C(Cl)C1c1cccs1.
What is the InChIKey of N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is WUTHZMDBNUIAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4N3O3S/c15-6-4-7(16)13(19-12(6)18)24-5-9(22)20-21-11(10(17)14(21)23)8-2-1-3-25-8/h1-4,10-11H,5H2,(H,20,22).
What are the key properties of N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 441.12 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 10551124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).