N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide

C14H13ClN2O2S — CID 6176137

IUPACN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
SMILESC/C(=N\NC(=O)COc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClN2O2S/c1-10(12-7-8-13(15)20-12)16-17-14(18)9-19-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)/b16-10+
InChIKeyXEIPGKJEHIPFBE-MHWRWJLKSA-N
MW308.79 g/mol
LogP3.32
Rot. Bonds5

About N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide

N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide (PubChem CID 6176137) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
PubChem CID6176137
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
SMILESC/C(=N\NC(=O)COc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClN2O2S/c1-10(12-7-8-13(15)20-12)16-17-14(18)9-19-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)/b16-10+
InChIKeyXEIPGKJEHIPFBE-MHWRWJLKSA-N
XLogP3.32
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8826478
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
2-(benzenesulfonamido)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 9236552
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6176429
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6053802
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
CID 4604859
5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate
CID 8826467
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883245
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide
CID 4284947
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
5-chloro-N-[4-[(Z)-C-methyl-N-[[2-(4-nitrophenoxy)acetyl]amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6028075

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide (CID 6176137) is N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide is C/C(=N\NC(=O)COc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide?
The InChIKey is XEIPGKJEHIPFBE-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-10(12-7-8-13(15)20-12)16-17-14(18)9-19-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)/b16-10+.
What are the key properties of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide?
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide has a molecular weight of 308.79 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 6176137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).