N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide

C14H14N2O2S — CID 5425302

IUPACN-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCOc1cccc(/C=N\NC(=O)Cc2cccs2)c1
InChIInChI=1S/C14H14N2O2S/c1-18-12-5-2-4-11(8-12)10-15-16-14(17)9-13-6-3-7-19-13/h2-8,10H,9H2,1H3,(H,16,17)/b15-10-
InChIKeyFVESUGCHAUBUJT-GDNBJRDFSA-N
MW274.35 g/mol
LogP2.45
Rot. Bonds5

About N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 5425302) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID5425302
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCOc1cccc(/C=N\NC(=O)Cc2cccs2)c1
InChIInChI=1S/C14H14N2O2S/c1-18-12-5-2-4-11(8-12)10-15-16-14(17)9-13-6-3-7-19-13/h2-8,10H,9H2,1H3,(H,16,17)/b15-10-
InChIKeyFVESUGCHAUBUJT-GDNBJRDFSA-N
XLogP2.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.45
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

N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135905133
2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 110515236
N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126213621
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5132547
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92657855
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
N-[(2-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 951103

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 5425302) is N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide is COc1cccc(/C=N\NC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is FVESUGCHAUBUJT-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-12-5-2-4-11(8-12)10-15-16-14(17)9-13-6-3-7-19-13/h2-8,10H,9H2,1H3,(H,16,17)/b15-10-.
What are the key properties of N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 274.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5425302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).