2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide

C13H13N3O4S — CID 115285994

IUPAC2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(N)c1cccs1
InChIInChI=1S/C13H13N3O4S/c1-20-10-5-4-8(16(18)19)7-9(10)15-13(17)12(14)11-3-2-6-21-11/h2-7,12H,14H2,1H3,(H,15,17)
InChIKeyKLQRSLZTDCLZLB-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.30
Rot. Bonds5

About 2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide

2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide (PubChem CID 115285994) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide
PubChem CID115285994
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(N)c1cccs1
InChIInChI=1S/C13H13N3O4S/c1-20-10-5-4-8(16(18)19)7-9(10)15-13(17)12(14)11-3-2-6-21-11/h2-7,12H,14H2,1H3,(H,15,17)
InChIKeyKLQRSLZTDCLZLB-UHFFFAOYSA-N
XLogP2.30
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050636
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915
N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
CID 60638823
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800903
2-[bis(thiophen-2-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 8800904
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide
CID 47535135
2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide
CID 79809415
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 55363375
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
1-(2-iodophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108869061

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide (CID 115285994) is 2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide?
The InChIKey is KLQRSLZTDCLZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-20-10-5-4-8(16(18)19)7-9(10)15-13(17)12(14)11-3-2-6-21-11/h2-7,12H,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide?
2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide has a molecular weight of 307.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115285994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).