N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide

C18H16N2O2S — CID 25237617

IUPACN-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(C)s1
InChIInChI=1S/C18H16N2O2S/c1-12-7-10-17(23-12)18(21)20-19-11-15-14-6-4-3-5-13(14)8-9-16(15)22-2/h3-11H,1-2H3,(H,20,21)/b19-11-
InChIKeyDVAYLAWVDUQNDZ-ODLFYWEKSA-N
MW324.41 g/mol
LogP3.98
Rot. Bonds4

About N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide

N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide (PubChem CID 25237617) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide
PubChem CID25237617
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(C)s1
InChIInChI=1S/C18H16N2O2S/c1-12-7-10-17(23-12)18(21)20-19-11-15-14-6-4-3-5-13(14)8-9-16(15)22-2/h3-11H,1-2H3,(H,20,21)/b19-11-
InChIKeyDVAYLAWVDUQNDZ-ODLFYWEKSA-N
XLogP3.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.98
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)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide (CID 25237617) is N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide is COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(C)s1.
What is the InChIKey of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide?
The InChIKey is DVAYLAWVDUQNDZ-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-7-10-17(23-12)18(21)20-19-11-15-14-6-4-3-5-13(14)8-9-16(15)22-2/h3-11H,1-2H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide?
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 25237617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).