2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide

C17H13N3O4S — CID 5187762

IUPAC2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
SMILESO=C(COc1cccc2ccccc12)NN=Cc1ccc([N+](=O)[O-])s1
InChIInChI=1S/C17H13N3O4S/c21-16(19-18-10-13-8-9-17(25-13)20(22)23)11-24-15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,19,21)
InChIKeyJKHAGCSCIZNZQF-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.34
Rot. Bonds6

About 2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide

2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide (PubChem CID 5187762) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
PubChem CID5187762
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
SMILESO=C(COc1cccc2ccccc12)NN=Cc1ccc([N+](=O)[O-])s1
InChIInChI=1S/C17H13N3O4S/c21-16(19-18-10-13-8-9-17(25-13)20(22)23)11-24-15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,19,21)
InChIKeyJKHAGCSCIZNZQF-UHFFFAOYSA-N
XLogP3.34
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
CID 129439552
2-(4-nitrophenoxy)-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 3369130
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
2-(4-iodophenoxy)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 16760968
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
2-(4-bromo-2,6-dimethylphenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5438506
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5457850
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 1245876
2-(3,4-dimethylphenoxy)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 6868155
2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
CID 957194
4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
CID 958505
3,4,5-trimethoxy-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 3317140

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide (CID 5187762) is 2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide is O=C(COc1cccc2ccccc12)NN=Cc1ccc([N+](=O)[O-])s1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide?
The InChIKey is JKHAGCSCIZNZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c21-16(19-18-10-13-8-9-17(25-13)20(22)23)11-24-15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,19,21).
What are the key properties of 2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide?
2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide has a molecular weight of 355.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5187762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).