N-(2-nitrothiophen-3-yl)acetamide

C6H6N2O3S — CID 3044935

IUPACN-(2-nitrothiophen-3-yl)acetamide
SMILESCC(=O)Nc1ccsc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3S/c1-4(9)7-5-2-3-12-6(5)8(10)11/h2-3H,1H3,(H,7,9)
InChIKeySUFHTGUFPKPKJF-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.61
Rot. Bonds2

About N-(2-nitrothiophen-3-yl)acetamide

N-(2-nitrothiophen-3-yl)acetamide (PubChem CID 3044935) has the molecular formula C6H6N2O3S and a molecular weight of 186.19 g/mol. Its IUPAC name is N-(2-nitrothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-nitrothiophen-3-yl)acetamide
PubChem CID3044935
Molecular FormulaC6H6N2O3S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC NameN-(2-nitrothiophen-3-yl)acetamide
SMILESCC(=O)Nc1ccsc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3S/c1-4(9)7-5-2-3-12-6(5)8(10)11/h2-3H,1H3,(H,7,9)
InChIKeySUFHTGUFPKPKJF-UHFFFAOYSA-N
XLogP1.61
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitrothiophen-3-yl)hydrazine
CID 60920995
N-ethyl-2-nitrothiophen-3-amine
CID 131104824
N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 66385553
N-(2-chloroprop-2-enyl)-2-nitrothiophen-3-amine
CID 131153588
N-(2-nitro-4-thiophen-2-ylphenyl)acetamide
CID 110477271
N-[2-[(3-bromo-4-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 82863772
2-(3-acetamidothiophen-2-yl)sulfanylacetic acid
CID 12571971
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-methyl-2-nitrothiophene-3-sulfonamide
CID 71756053
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
2-(2-nitrothiophen-3-yl)sulfanylacetic acid
CID 4229372

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrothiophen-3-yl)acetamide?
The IUPAC name of N-(2-nitrothiophen-3-yl)acetamide (CID 3044935) is N-(2-nitrothiophen-3-yl)acetamide.
What is the SMILES notation for N-(2-nitrothiophen-3-yl)acetamide?
The canonical SMILES for N-(2-nitrothiophen-3-yl)acetamide is CC(=O)Nc1ccsc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrothiophen-3-yl)acetamide?
The InChIKey is SUFHTGUFPKPKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S/c1-4(9)7-5-2-3-12-6(5)8(10)11/h2-3H,1H3,(H,7,9).
What are the key properties of N-(2-nitrothiophen-3-yl)acetamide?
N-(2-nitrothiophen-3-yl)acetamide has a molecular weight of 186.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrothiophen-3-yl)acetamide is sourced from PubChem (CID 3044935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).