N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide

C18H16N2O2S — CID 5410848

IUPACN-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2sccc2C)c2ccccc12
InChIInChI=1S/C18H16N2O2S/c1-12-9-10-23-17(12)18(21)20-19-11-13-7-8-16(22-2)15-6-4-3-5-14(13)15/h3-11H,1-2H3,(H,20,21)/b19-11-
InChIKeyULIDFMKMRKGNHB-ODLFYWEKSA-N
MW324.41 g/mol
LogP3.98
Rot. Bonds4

About N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide

N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide (PubChem CID 5410848) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide
PubChem CID5410848
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2sccc2C)c2ccccc12
InChIInChI=1S/C18H16N2O2S/c1-12-9-10-23-17(12)18(21)20-19-11-13-7-8-16(22-2)15-6-4-3-5-14(13)15/h3-11H,1-2H3,(H,20,21)/b19-11-
InChIKeyULIDFMKMRKGNHB-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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Related Compounds

2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 932462
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 693396
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6129551
N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide
CID 4981001
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921
4-bromo-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 5434440
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4926033
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide (CID 5410848) is N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide is COc1ccc(/C=N\NC(=O)c2sccc2C)c2ccccc12.
What is the InChIKey of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide?
The InChIKey is ULIDFMKMRKGNHB-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-9-10-23-17(12)18(21)20-19-11-13-7-8-16(22-2)15-6-4-3-5-14(13)15/h3-11H,1-2H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide?
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-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)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 5410848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).