2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide

C15H14N2O5S — CID 8951874

IUPAC2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=Cc1cc([N+](=O)[O-])ccc1OCC(=O)NCCc1cccs1
InChIInChI=1S/C15H14N2O5S/c18-9-11-8-12(17(20)21)3-4-14(11)22-10-15(19)16-6-5-13-2-1-7-23-13/h1-4,7-9H,5-6,10H2,(H,16,19)
InChIKeyVPXMUZISISPHMM-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.21
Rot. Bonds8

About 2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide

2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 8951874) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID8951874
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=Cc1cc([N+](=O)[O-])ccc1OCC(=O)NCCc1cccs1
InChIInChI=1S/C15H14N2O5S/c18-9-11-8-12(17(20)21)3-4-14(11)22-10-15(19)16-6-5-13-2-1-7-23-13/h1-4,7-9H,5-6,10H2,(H,16,19)
InChIKeyVPXMUZISISPHMM-UHFFFAOYSA-N
XLogP2.21
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 8951230
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 8808919
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 62072619
2-(2-formylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7762764
N-[[5-nitro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63775464
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 8944590
N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743716
methyl 3-(2-formyl-4-nitrophenoxy)propanoate
CID 63950739
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523725
N-[(1S)-1-cyclopropylethyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 8808925
N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34744103
N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743749

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide (CID 8951874) is 2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide is O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)NCCc1cccs1.
What is the InChIKey of 2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is VPXMUZISISPHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c18-9-11-8-12(17(20)21)3-4-14(11)22-10-15(19)16-6-5-13-2-1-7-23-13/h1-4,7-9H,5-6,10H2,(H,16,19).
What are the key properties of 2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 334.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 8951874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).