N-(2-nitro-4-thiophen-2-ylphenyl)acetamide

C12H10N2O3S — CID 110477271

IUPACN-(2-nitro-4-thiophen-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(-c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O3S/c1-8(15)13-10-5-4-9(7-11(10)14(16)17)12-3-2-6-18-12/h2-7H,1H3,(H,13,15)
InChIKeySKDIXGLTXQPBFG-UHFFFAOYSA-N
MW262.29 g/mol
LogP3.28
Rot. Bonds3

About N-(2-nitro-4-thiophen-2-ylphenyl)acetamide

N-(2-nitro-4-thiophen-2-ylphenyl)acetamide (PubChem CID 110477271) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2-nitro-4-thiophen-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-nitro-4-thiophen-2-ylphenyl)acetamide
PubChem CID110477271
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-(2-nitro-4-thiophen-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(-c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O3S/c1-8(15)13-10-5-4-9(7-11(10)14(16)17)12-3-2-6-18-12/h2-7H,1H3,(H,13,15)
InChIKeySKDIXGLTXQPBFG-UHFFFAOYSA-N
XLogP3.28
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 53.28
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

N-(2-nitro-4-thiophen-2-ylphenyl)benzamide
CID 91406770
2-(3-nitro-4-thiophen-2-ylphenyl)thiophene
CID 22765600
N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide
CID 4862006
N-(2-nitro-5-thiophen-2-ylphenyl)formamide
CID 168651677
4-isocyano-N-(2-nitro-5-thiophen-2-ylphenyl)benzamide
CID 59736694
N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509038
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
N-(2-nitrothiophen-3-yl)acetamide
CID 3044935
2-(4-nitrophenyl)thiophene
CID 609512
N-(3-nitrophenyl)-4-thiophen-2-ylbenzamide
CID 4730837
methyl 3-(4-acetamido-3-nitrophenyl)propanoate
CID 69217638
N-[4-(2-cyanopropan-2-yl)-2-nitrophenyl]acetamide;ethane
CID 164905537

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-4-thiophen-2-ylphenyl)acetamide?
The IUPAC name of N-(2-nitro-4-thiophen-2-ylphenyl)acetamide (CID 110477271) is N-(2-nitro-4-thiophen-2-ylphenyl)acetamide.
What is the SMILES notation for N-(2-nitro-4-thiophen-2-ylphenyl)acetamide?
The canonical SMILES for N-(2-nitro-4-thiophen-2-ylphenyl)acetamide is CC(=O)Nc1ccc(-c2cccs2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitro-4-thiophen-2-ylphenyl)acetamide?
The InChIKey is SKDIXGLTXQPBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-8(15)13-10-5-4-9(7-11(10)14(16)17)12-3-2-6-18-12/h2-7H,1H3,(H,13,15).
What are the key properties of N-(2-nitro-4-thiophen-2-ylphenyl)acetamide?
N-(2-nitro-4-thiophen-2-ylphenyl)acetamide has a molecular weight of 262.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-4-thiophen-2-ylphenyl)acetamide is sourced from PubChem (CID 110477271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).