2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid

C11H16N2O4S — CID 63113507

IUPAC2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
SMILESCOCCNC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-6-7(2)18-9(8(6)10(14)15)13-11(16)12-4-5-17-3/h4-5H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyVGLIOBZLJDCFKT-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.83
Rot. Bonds5

About 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid

2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 63113507) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID63113507
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
SMILESCOCCNC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-6-7(2)18-9(8(6)10(14)15)13-11(16)12-4-5-17-3/h4-5H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyVGLIOBZLJDCFKT-UHFFFAOYSA-N
XLogP1.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid 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

2-[(3-hydroxy-4-methoxybutyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 106248370
2-(2-butoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63114436
2-[(4-methoxy-4-oxobutyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114240
2-(4-aminobutylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63114273
4,5-dimethyl-2-(pent-3-ynylcarbamoylamino)thiophene-3-carboxylic acid
CID 116644675
2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777210
4,5-dimethyl-2-(3-sulfamoylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114718
2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 65048117
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114088
2-(cyclobutylmethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63114078
4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
CID 55219459
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 18078193

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid (CID 63113507) is 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid is COCCNC(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is VGLIOBZLJDCFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-6-7(2)18-9(8(6)10(14)15)13-11(16)12-4-5-17-3/h4-5H2,1-3H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid?
2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 63113507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).