N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide

C17H20N2O4S — CID 126213621

IUPACN-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
SMILESCOCCOc1ccc(/C=N\NC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C17H20N2O4S/c1-21-7-8-23-15-6-5-13(10-16(15)22-2)12-18-19-17(20)11-14-4-3-9-24-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,20)/b18-12-
InChIKeyULSBPUKRILJQQM-PDGQHHTCSA-N
MW348.42 g/mol
LogP2.47
Rot. Bonds9

About N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 126213621) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID126213621
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
SMILESCOCCOc1ccc(/C=N\NC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C17H20N2O4S/c1-21-7-8-23-15-6-5-13(10-16(15)22-2)12-18-19-17(20)11-14-4-3-9-24-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,20)/b18-12-
InChIKeyULSBPUKRILJQQM-PDGQHHTCSA-N
XLogP2.47
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126209978
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135905133
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126204429
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5132547
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126212779
N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126212286
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide (CID 126213621) is N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide is COCCOc1ccc(/C=N\NC(=O)Cc2cccs2)cc1OC.
What is the InChIKey of N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is ULSBPUKRILJQQM-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-21-7-8-23-15-6-5-13(10-16(15)22-2)12-18-19-17(20)11-14-4-3-9-24-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,20)/b18-12-.
What are the key properties of N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 348.42 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 126213621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).