2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid

C15H15NO4S — CID 43171497

IUPAC2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
SMILESCc1cccc(C)c1OCC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C15H15NO4S/c1-9-4-3-5-10(2)13(9)20-8-12(17)16-14-11(15(18)19)6-7-21-14/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySQPFPTLEAXGRJR-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.08
Rot. Bonds5

About 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid (PubChem CID 43171497) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
PubChem CID43171497
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
SMILESCc1cccc(C)c1OCC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C15H15NO4S/c1-9-4-3-5-10(2)13(9)20-8-12(17)16-14-11(15(18)19)6-7-21-14/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySQPFPTLEAXGRJR-UHFFFAOYSA-N
XLogP3.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-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-[[2-(2,6-dimethylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860630
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357234
2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43171472
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357394
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60911052
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 60910796
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid (CID 43171497) is 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid is Cc1cccc(C)c1OCC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The InChIKey is SQPFPTLEAXGRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-4-3-5-10(2)13(9)20-8-12(17)16-14-11(15(18)19)6-7-21-14/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43171497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).