N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide

C8H10N2O5S — CID 79676242

IUPACN-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide
SMILESCOCCONC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H10N2O5S/c1-14-4-5-15-9-8(11)6-2-3-7(16-6)10(12)13/h2-3H,4-5H2,1H3,(H,9,11)
InChIKeyRBXUMVWQXFCLCR-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.96
Rot. Bonds6

About N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide

N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide (PubChem CID 79676242) has the molecular formula C8H10N2O5S and a molecular weight of 246.24 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide
PubChem CID79676242
Molecular FormulaC8H10N2O5S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC NameN-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide
SMILESCOCCONC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H10N2O5S/c1-14-4-5-15-9-8(11)6-2-3-7(16-6)10(12)13/h2-3H,4-5H2,1H3,(H,9,11)
InChIKeyRBXUMVWQXFCLCR-UHFFFAOYSA-N
XLogP0.96
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide 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

3-methoxy-2-[(5-nitrothiophene-2-carbonyl)amino]propanoic acid
CID 81077361
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide
CID 41442761
N-(1-hydroxy-3-methylbutan-2-yl)-5-nitrothiophene-2-carboxamide
CID 79253129
N-(1-hydroxybutan-2-yl)-5-nitrothiophene-2-carboxamide
CID 43390314
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-nitrothiophene-2-carboxamide
CID 114033525
4-methyl-2-[(5-nitrothiophene-2-carbonyl)amino]pentanoic acid
CID 43238542
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
N-(2-chloroprop-2-enyl)-5-nitrothiophene-2-carboxamide
CID 115636478
N-[[4-(aminomethyl)phenyl]methyl]-5-nitrothiophene-2-carboxamide
CID 81090025
N-(1-cyanobutyl)-5-nitrothiophene-2-carboxamide
CID 113230091
methyl 4-[(5-nitrothiophene-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617239

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide (CID 79676242) is N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide is COCCONC(=O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide?
The InChIKey is RBXUMVWQXFCLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S/c1-14-4-5-15-9-8(11)6-2-3-7(16-6)10(12)13/h2-3H,4-5H2,1H3,(H,9,11).
What are the key properties of N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide?
N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 79676242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).