N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide

C17H14N2OS — CID 25237586

IUPACN-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C17H14N2OS/c1-12-6-9-16(21-12)11-18-19-17(20)15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H,19,20)/b18-11+
InChIKeyRAUQELVUTDMTBN-WOJGMQOQSA-N
MW294.38 g/mol
LogP3.97
Rot. Bonds3

About N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide

N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 25237586) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide
PubChem CID25237586
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C17H14N2OS/c1-12-6-9-16(21-12)11-18-19-17(20)15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H,19,20)/b18-11+
InChIKeyRAUQELVUTDMTBN-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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Related Compounds

4-(Thiophen-2-yl)-1,2-dihydrophthalazin-1-one
CID 686557
N'-[1-(2-naphthyl)ethylidene]-2-thiophenecarbohydrazide
CID 9615841
N'-[(1E)-1-(thiophen-2-yl)ethylidene]naphthalene-2-carbohydrazide
CID 25252433
N'-[(E)-(3-methylthiophen-2-yl)methylidene]naphthalene-2-carbohydrazide
CID 25252435
N'-(4-methylbenzylidene)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 6873562
N'-[(2-methyl-3-thienyl)methylene]-1-naphthohydrazide
CID 6873692
Benzoic acid, 2-(2-thienylmethylene)hydrazide
CID 204470
Benzene acid, (2-thienylmethylene)hydrazide
CID 6895148
N'-((1,1'-Biphenyl)-4-ylmethylene)-2-thiophenecarbohydrazide
CID 6880365
2-(1-naphthyl)-N'-(2-thienylmethylene)acetohydrazide
CID 6896157
N'-[(E)-(4-chlorophenyl)methylidene]-4,5-dihydronaphtho[1,2-b]thiophene-2-carbohydrazide
CID 9621443
N'-{(E)-[3-(trifluoromethyl)phenyl]methylidene}-4,5-dihydronaphtho[1,2-b]thiophene-2-carbohydrazide
CID 9635453

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide (CID 25237586) is N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide is Cc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)s1.
What is the InChIKey of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is RAUQELVUTDMTBN-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-6-9-16(21-12)11-18-19-17(20)15-8-7-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide?
N-[(E)-(5-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)-(5-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 25237586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).