4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid

C15H15NO4S — CID 66437990

IUPAC4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1csc(C(=O)O)c1)NCCc1ccccc1
InChIInChI=1S/C15H15NO4S/c17-14(16-7-6-11-4-2-1-3-5-11)9-20-12-8-13(15(18)19)21-10-12/h1-5,8,10H,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyWITMJCYGORVYKG-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.18
Rot. Bonds7

About 4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid

4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid (PubChem CID 66437990) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid
PubChem CID66437990
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1csc(C(=O)O)c1)NCCc1ccccc1
InChIInChI=1S/C15H15NO4S/c17-14(16-7-6-11-4-2-1-3-5-11)9-20-12-8-13(15(18)19)21-10-12/h1-5,8,10H,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyWITMJCYGORVYKG-UHFFFAOYSA-N
XLogP2.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436441
4-[2-oxo-2-(prop-2-ynylamino)ethoxy]thiophene-2-carboxylic acid
CID 66436706
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436887
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 17478347
3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid
CID 45418647
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 7320182
2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
CID 101151355

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid (CID 66437990) is 4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid is O=C(COc1csc(C(=O)O)c1)NCCc1ccccc1.
What is the InChIKey of 4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid?
The InChIKey is WITMJCYGORVYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-14(16-7-6-11-4-2-1-3-5-11)9-20-12-8-13(15(18)19)21-10-12/h1-5,8,10H,6-7,9H2,(H,16,17)(H,18,19).
What are the key properties of 4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid?
4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66437990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).