N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide

C24H26N2O5S — CID 126209978

IUPACN-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OCCOc1ccccc1OC
InChIInChI=1S/C24H26N2O5S/c1-3-29-23-15-18(17-25-26-24(27)16-19-7-6-14-32-19)10-11-22(23)31-13-12-30-21-9-5-4-8-20(21)28-2/h4-11,14-15,17H,3,12-13,16H2,1-2H3,(H,26,27)/b25-17-
InChIKeyZBWVFJWMHQPFNP-UQQQWYQISA-N
MW454.55 g/mol
LogP4.31
Rot. Bonds12

About N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 126209978) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID126209978
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OCCOc1ccccc1OC
InChIInChI=1S/C24H26N2O5S/c1-3-29-23-15-18(17-25-26-24(27)16-19-7-6-14-32-19)10-11-22(23)31-13-12-30-21-9-5-4-8-20(21)28-2/h4-11,14-15,17H,3,12-13,16H2,1-2H3,(H,26,27)/b25-17-
InChIKeyZBWVFJWMHQPFNP-UQQQWYQISA-N
XLogP4.31
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126213621
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135905133
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126212779
N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126204429
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5132547
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide (CID 126209978) is N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide is CCOc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OCCOc1ccccc1OC.
What is the InChIKey of N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is ZBWVFJWMHQPFNP-UQQQWYQISA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-3-29-23-15-18(17-25-26-24(27)16-19-7-6-14-32-19)10-11-22(23)31-13-12-30-21-9-5-4-8-20(21)28-2/h4-11,14-15,17H,3,12-13,16H2,1-2H3,(H,26,27)/b25-17-.
What are the key properties of N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 454.55 g/mol, XLogP of 4.31, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 126209978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).