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

C17H14N2OS — CID 6896157

IUPAC2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C/c1cccs1
InChIInChI=1S/C17H14N2OS/c20-17(19-18-12-15-8-4-10-21-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,12H,11H2,(H,19,20)/b18-12+
InChIKeyCZMYZIQKPUVNON-LDADJPATSA-N
MW294.38 g/mol
LogP3.59
Rot. Bonds4

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

2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 6896157) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID6896157
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C/c1cccs1
InChIInChI=1S/C17H14N2OS/c20-17(19-18-12-15-8-4-10-21-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,12H,11H2,(H,19,20)/b18-12+
InChIKeyCZMYZIQKPUVNON-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 2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 6896157) is 2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is O=C(Cc1cccc2ccccc12)N/N=C/c1cccs1.
What is the InChIKey of 2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is CZMYZIQKPUVNON-LDADJPATSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(19-18-12-15-8-4-10-21-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,12H,11H2,(H,19,20)/b18-12+.
What are the key properties of 2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide 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 2-naphthalen-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6896157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).