N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide

C17H14N2OS — CID 6893906

IUPACN-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C17H14N2OS/c20-17(11-15-8-4-10-21-15)19-18-12-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,12H,11H2,(H,19,20)/b18-12+
InChIKeyYRFIGVXWJGZUED-LDADJPATSA-N
MW294.38 g/mol
LogP3.59
Rot. Bonds4

About N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 6893906) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide
PubChem CID6893906
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C17H14N2OS/c20-17(11-15-8-4-10-21-15)19-18-12-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,12H,11H2,(H,19,20)/b18-12+
InChIKeyYRFIGVXWJGZUED-LDADJPATSA-N
XLogP3.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.59
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)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide (CID 6893906) is N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C/c1cccc2ccccc12.
What is the InChIKey of N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is YRFIGVXWJGZUED-LDADJPATSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(11-15-8-4-10-21-15)19-18-12-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,12H,11H2,(H,19,20)/b18-12+.
What are the key properties of N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 294.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6893906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).