5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid

C17H19NO4S — CID 28858997

IUPAC5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
SMILESCCc1ccc(OCC(=O)Nc2sc(CC)cc2C(=O)O)cc1
InChIInChI=1S/C17H19NO4S/c1-3-11-5-7-12(8-6-11)22-10-15(19)18-16-14(17(20)21)9-13(4-2)23-16/h5-9H,3-4,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFOBDTNUILVPSGB-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.59
Rot. Bonds7

About 5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid

5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid (PubChem CID 28858997) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
PubChem CID28858997
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
SMILESCCc1ccc(OCC(=O)Nc2sc(CC)cc2C(=O)O)cc1
InChIInChI=1S/C17H19NO4S/c1-3-11-5-7-12(8-6-11)22-10-15(19)18-16-14(17(20)21)9-13(4-2)23-16/h5-9H,3-4,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyFOBDTNUILVPSGB-UHFFFAOYSA-N
XLogP3.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylic acid
CID 28858939
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide
CID 2814367
ethyl 2-[[2-(4-acetylphenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7763780
ethyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 16521235
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63615629
2-(3-ethoxypropanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63614331
2-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860626
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692626
ethyl 5-ethyl-2-[[2-(3-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 7865151
ethyl 5-ethyl-2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 8633848
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid (CID 28858997) is 5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid is CCc1ccc(OCC(=O)Nc2sc(CC)cc2C(=O)O)cc1.
What is the InChIKey of 5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
The InChIKey is FOBDTNUILVPSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-11-5-7-12(8-6-11)22-10-15(19)18-16-14(17(20)21)9-13(4-2)23-16/h5-9H,3-4,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid?
5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid has a molecular weight of 333.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 28858997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).