3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid

C15H15NO4S — CID 43356581

IUPAC3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid
SMILESCc1ccc(OCC(=O)Nc2cc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H15NO4S/c1-9-3-5-11(6-4-9)20-8-12(17)16-13-7-10(2)14(21-13)15(18)19/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZGFLOKYCDKSFEE-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.08
Rot. Bonds5

About 3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid

3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43356581) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid
PubChem CID43356581
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid
SMILESCc1ccc(OCC(=O)Nc2cc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H15NO4S/c1-9-3-5-11(6-4-9)20-8-12(17)16-13-7-10(2)14(21-13)15(18)19/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZGFLOKYCDKSFEE-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

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Related Compounds

3-methyl-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43356560
3-methyl-5-(3-phenoxypropanoylamino)thiophene-2-carboxylic acid
CID 29047411
5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29045288
ethyl 5-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 8582351
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860626
4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
CID 100977124
5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29031196
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
3-methyl-5-(3-propoxypropanoylamino)thiophene-2-carboxylic acid
CID 62686419
ethyl 5-[[2-(3-bromophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 7942305
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid (CID 43356581) is 3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid is Cc1ccc(OCC(=O)Nc2cc(C)c(C(=O)O)s2)cc1.
What is the InChIKey of 3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is ZGFLOKYCDKSFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-3-5-11(6-4-9)20-8-12(17)16-13-7-10(2)14(21-13)15(18)19/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid?
3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-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 3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43356581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).