4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid

C14H13NO4S — CID 66436887

IUPAC4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESCN(C(=O)COc1csc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C14H13NO4S/c1-15(10-5-3-2-4-6-10)13(16)8-19-11-7-12(14(17)18)20-9-11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyPILFFQZHCKKZMT-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.49
Rot. Bonds5

About 4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid

4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid (PubChem CID 66436887) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
PubChem CID66436887
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESCN(C(=O)COc1csc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C14H13NO4S/c1-15(10-5-3-2-4-6-10)13(16)8-19-11-7-12(14(17)18)20-9-11/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyPILFFQZHCKKZMT-UHFFFAOYSA-N
XLogP2.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
4-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436690
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468
2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
CID 17310206
4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid
CID 66437990
N-methyl-N-phenyl-2-pyrimidin-2-yloxyacetamide
CID 121086783
N-methyl-N-phenyl-2-quinolin-6-yloxyacetamide
CID 112978659
N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide
CID 62971504
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
2-amino-N-benzyl-N-[3-[2-(N-methylanilino)-2-oxoethoxy]phenyl]acetamide
CID 10573232

Frequently Asked Questions

What is the IUPAC name of 4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid (CID 66436887) is 4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid is CN(C(=O)COc1csc(C(=O)O)c1)c1ccccc1.
What is the InChIKey of 4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The InChIKey is PILFFQZHCKKZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-15(10-5-3-2-4-6-10)13(16)8-19-11-7-12(14(17)18)20-9-11/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66436887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).