N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C17H16N4O4S — CID 53483897

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ncnc3sccc23)cc1OC
InChIInChI=1S/C17H16N4O4S/c1-23-13-4-3-11(7-14(13)24-2)8-20-21-15(22)9-25-16-12-5-6-26-17(12)19-10-18-16/h3-8,10H,9H2,1-2H3,(H,21,22)/b20-8+
InChIKeyNHDPLJWCFNTEHG-DNTJNYDQSA-N
MW372.41 g/mol
LogP2.24
Rot. Bonds7

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 53483897) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID53483897
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ncnc3sccc23)cc1OC
InChIInChI=1S/C17H16N4O4S/c1-23-13-4-3-11(7-14(13)24-2)8-20-21-15(22)9-25-16-12-5-6-26-17(12)19-10-18-16/h3-8,10H,9H2,1-2H3,(H,21,22)/b20-8+
InChIKeyNHDPLJWCFNTEHG-DNTJNYDQSA-N
XLogP2.24
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
N-[(Z)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029913
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966
2-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176119
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
N-(3-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705200
[4-[(Z)-[[2-(2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 41145124

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 53483897) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is COc1ccc(/C=N/NC(=O)COc2ncnc3sccc23)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is NHDPLJWCFNTEHG-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-23-13-4-3-11(7-14(13)24-2)8-20-21-15(22)9-25-16-12-5-6-26-17(12)19-10-18-16/h3-8,10H,9H2,1-2H3,(H,21,22)/b20-8+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 372.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 53483897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).