N-(2-nitrophenyl)-2-thiophen-2-ylacetamide

C12H10N2O3S — CID 566391

IUPACN-(2-nitrophenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O3S/c15-12(8-9-4-3-7-18-9)13-10-5-1-2-6-11(10)14(16)17/h1-7H,8H2,(H,13,15)
InChIKeyZWTGULSQKWTTGI-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.84
Rot. Bonds4

About N-(2-nitrophenyl)-2-thiophen-2-ylacetamide

N-(2-nitrophenyl)-2-thiophen-2-ylacetamide (PubChem CID 566391) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-thiophen-2-ylacetamide
PubChem CID566391
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-(2-nitrophenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O3S/c15-12(8-9-4-3-7-18-9)13-10-5-1-2-6-11(10)14(16)17/h1-7H,8H2,(H,13,15)
InChIKeyZWTGULSQKWTTGI-UHFFFAOYSA-N
XLogP2.84
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.84
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'}

Analyze N-(2-nitrophenyl)-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-2-(2-thienyl)acetamide
CID 779609
N-(4-nitrophenyl)-2-(thiophen-2-yl)acetamide
CID 2970898
N-(4-fluorophenyl)-2-(2-thienyl)acetamide
CID 531783
N-(3-Acetylamino-phenyl)-2-thiophen-2-yl-acetamide
CID 1147554
N-(2-Fluoro-5-nitrophenyl)-2-thiophenecarboxamide
CID 573756
N-(4-nitrophenyl)-3-(2-thienyl)acrylamide
CID 5736923
N-(4-methyl-2-nitrophenyl)-3-(2-thienyl)acrylamide
CID 5737026
3-(2-Thienyl)-1,2-dihydroquinoxalin-2-one
CID 723698
N-(2-fluorophenyl)-5-nitrothiophene-2-carboxamide
CID 4191742
N-(3-nitrophenyl)-2-(2-thienyl)acetamide
CID 531789
N-(2-fluorophenyl)-2-(thiophen-2-yl)acetamide
CID 532843
1-Ethoxy-4-oxy-3-thiophen-2-yl-1H-quinoxalin-2-one
CID 821135

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-nitrophenyl)-2-thiophen-2-ylacetamide (CID 566391) is N-(2-nitrophenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-nitrophenyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZWTGULSQKWTTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-12(8-9-4-3-7-18-9)13-10-5-1-2-6-11(10)14(16)17/h1-7H,8H2,(H,13,15).
What are the key properties of N-(2-nitrophenyl)-2-thiophen-2-ylacetamide?
N-(2-nitrophenyl)-2-thiophen-2-ylacetamide has a molecular weight of 262.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 566391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).