N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide

C17H14N2OS — CID 25252435

IUPACN-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCc1ccsc1/C=N/NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H14N2OS/c1-12-8-9-21-16(12)11-18-19-17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H,19,20)/b18-11+
InChIKeyQIZCPLMEOCHZPH-WOJGMQOQSA-N
MW294.38 g/mol
LogP3.97
Rot. Bonds3

About N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide

N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 25252435) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide
PubChem CID25252435
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCc1ccsc1/C=N/NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H14N2OS/c1-12-8-9-21-16(12)11-18-19-17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H,19,20)/b18-11+
InChIKeyQIZCPLMEOCHZPH-WOJGMQOQSA-N
XLogP3.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide (CID 25252435) is N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide is Cc1ccsc1/C=N/NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is QIZCPLMEOCHZPH-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-8-9-21-16(12)11-18-19-17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide?
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 25252435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).