N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide

C13H9Cl3N2O2S — CID 3457585

IUPACN-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccsc1
InChIInChI=1S/C13H9Cl3N2O2S/c14-9-3-11(16)12(4-10(9)15)20-6-13(19)18-17-5-8-1-2-21-7-8/h1-5,7H,6H2,(H,18,19)
InChIKeyOSGSUQXGBOCCBL-UHFFFAOYSA-N
MW363.65 g/mol
LogP4.24
Rot. Bonds5

About N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide

N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 3457585) has the molecular formula C13H9Cl3N2O2S and a molecular weight of 363.65 g/mol. Its IUPAC name is N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID3457585
Molecular FormulaC13H9Cl3N2O2S
Molecular Weight363.65 g/mol
Exact Mass361.95
IUPAC NameN-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccsc1
InChIInChI=1S/C13H9Cl3N2O2S/c14-9-3-11(16)12(4-10(9)15)20-6-13(19)18-17-5-8-1-2-21-7-8/h1-5,7H,6H2,(H,18,19)
InChIKeyOSGSUQXGBOCCBL-UHFFFAOYSA-N
XLogP4.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
2-(2,5-dimethylphenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 5412056
N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4164318
2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
CID 957194
N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4547272
N-(quinoxalin-6-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 71961721
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 136794072
2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide
CID 4980484
N-[(3-phenylmethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3537489
2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 9241892
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide (CID 3457585) is N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccsc1.
What is the InChIKey of N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is OSGSUQXGBOCCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2S/c14-9-3-11(16)12(4-10(9)15)20-6-13(19)18-17-5-8-1-2-21-7-8/h1-5,7H,6H2,(H,18,19).
What are the key properties of N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 363.65 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 3457585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).