5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid

C13H10N2O5S — CID 43474780

IUPAC5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C13H10N2O5S/c16-11(14-12-6-5-10(21-12)13(17)18)7-8-1-3-9(4-2-8)15(19)20/h1-6H,7H2,(H,14,16)(H,17,18)
InChIKeyYOVYONAIYMKQKL-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.54
Rot. Bonds5

About 5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid

5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43474780) has the molecular formula C13H10N2O5S and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid
PubChem CID43474780
Molecular FormulaC13H10N2O5S
Molecular Weight306.30 g/mol
Exact Mass306.03
IUPAC Name5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C13H10N2O5S/c16-11(14-12-6-5-10(21-12)13(17)18)7-8-1-3-9(4-2-8)15(19)20/h1-6H,7H2,(H,14,16)(H,17,18)
InChIKeyYOVYONAIYMKQKL-UHFFFAOYSA-N
XLogP2.54
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
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

5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474344
5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474864
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3447971
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
potassium 2-(4-nitrophenyl)acetate
CID 15261201
4-(4-nitrophenyl)-3-oxobutanoic acid
CID 90710883
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 3636961
N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide
CID 112691354

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid (CID 43474780) is 5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is YOVYONAIYMKQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5S/c16-11(14-12-6-5-10(21-12)13(17)18)7-8-1-3-9(4-2-8)15(19)20/h1-6H,7H2,(H,14,16)(H,17,18).
What are the key properties of 5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid?
5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).