5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide

C17H14N2O4S — CID 43840734

IUPAC5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C17H14N2O4S/c20-17(18-10-9-12-4-3-11-24-12)16-8-7-15(23-16)13-5-1-2-6-14(13)19(21)22/h1-8,11H,9-10H2,(H,18,20)
InChIKeyRYHJSNSRRYIEIY-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.89
Rot. Bonds6

About 5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide

5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide (PubChem CID 43840734) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
PubChem CID43840734
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C17H14N2O4S/c20-17(18-10-9-12-4-3-11-24-12)16-8-7-15(23-16)13-5-1-2-6-14(13)19(21)22/h1-8,11H,9-10H2,(H,18,20)
InChIKeyRYHJSNSRRYIEIY-UHFFFAOYSA-N
XLogP3.89
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.89
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

1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)pyridazine-3-carboxamide
CID 27770339
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 924587
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 9150497
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 62072619
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668
N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 23880882
N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 801149
ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate
CID 1347194
N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 2979366
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide (CID 43840734) is 5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide is O=C(NCCc1cccs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of 5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
The InChIKey is RYHJSNSRRYIEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-17(18-10-9-12-4-3-11-24-12)16-8-7-15(23-16)13-5-1-2-6-14(13)19(21)22/h1-8,11H,9-10H2,(H,18,20).
What are the key properties of 5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide?
5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 43840734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).