N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide

C14H14N2O2S — CID 5403824

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10(11-5-7-12(18-2)8-6-11)15-16-14(17)13-4-3-9-19-13/h3-9H,1-2H3,(H,16,17)/b15-10-
InChIKeyYCVKPUFYXAMCAQ-GDNBJRDFSA-N
MW274.35 g/mol
LogP2.91
Rot. Bonds4

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 5403824) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
PubChem CID5403824
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2cccs2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10(11-5-7-12(18-2)8-6-11)15-16-14(17)13-4-3-9-19-13/h3-9H,1-2H3,(H,16,17)/b15-10-
InChIKeyYCVKPUFYXAMCAQ-GDNBJRDFSA-N
XLogP2.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide (CID 5403824) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide is COc1ccc(/C(C)=N\NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is YCVKPUFYXAMCAQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10(11-5-7-12(18-2)8-6-11)15-16-14(17)13-4-3-9-19-13/h3-9H,1-2H3,(H,16,17)/b15-10-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 5403824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).