N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide

C15H16N2O4S — CID 110492997

IUPACN-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide
SMILESCCCOc1ccc(NC(=O)Cc2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4S/c1-2-7-21-11-5-6-13(14(9-11)17(19)20)16-15(18)10-12-4-3-8-22-12/h3-6,8-9H,2,7,10H2,1H3,(H,16,18)
InChIKeyJLBZOBYBJKZKCT-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.63
Rot. Bonds7

About N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide

N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide (PubChem CID 110492997) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide
PubChem CID110492997
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide
SMILESCCCOc1ccc(NC(=O)Cc2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4S/c1-2-7-21-11-5-6-13(14(9-11)17(19)20)16-15(18)10-12-4-3-8-22-12/h3-6,8-9H,2,7,10H2,1H3,(H,16,18)
InChIKeyJLBZOBYBJKZKCT-UHFFFAOYSA-N
XLogP3.63
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493113
N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
CID 110493019
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
ethyl-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718187
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
CID 110493070
1-(3-chlorophenyl)-3-(2-nitro-4-propoxyphenyl)urea
CID 110493012
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8677941

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide (CID 110492997) is N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide is CCCOc1ccc(NC(=O)Cc2cccs2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is JLBZOBYBJKZKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-7-21-11-5-6-13(14(9-11)17(19)20)16-15(18)10-12-4-3-8-22-12/h3-6,8-9H,2,7,10H2,1H3,(H,16,18).
What are the key properties of N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide?
N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 320.37 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110492997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).