4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid

C9H11NO4S — CID 66436441

IUPAC4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESCCNC(=O)COc1csc(C(=O)O)c1
InChIInChI=1S/C9H11NO4S/c1-2-10-8(11)4-14-6-3-7(9(12)13)15-5-6/h3,5H,2,4H2,1H3,(H,10,11)(H,12,13)
InChIKeyXINSCEIRPIHVSU-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.96
Rot. Bonds5

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

4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid (PubChem CID 66436441) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
PubChem CID66436441
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESCCNC(=O)COc1csc(C(=O)O)c1
InChIInChI=1S/C9H11NO4S/c1-2-10-8(11)4-14-6-3-7(9(12)13)15-5-6/h3,5H,2,4H2,1H3,(H,10,11)(H,12,13)
InChIKeyXINSCEIRPIHVSU-UHFFFAOYSA-N
XLogP0.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-oxo-2-(prop-2-ynylamino)ethoxy]thiophene-2-carboxylic acid
CID 66436706
4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid
CID 66437990
4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66437104
4-(2-propoxyethoxy)thiophene-2-carboxylic acid
CID 106449466
4-[2-(4-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66439098
4-[3-(carbamoylamino)-3-oxopropoxy]thiophene-2-carboxylic acid
CID 66439508
4-(4-propylphenoxy)thiophene-2-carboxylic acid
CID 113404042
4-[2-(N-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436887
4-pentan-2-yloxythiophene-2-carboxylic acid
CID 107890074
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66436704
4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
CID 107675462
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66439309

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid (CID 66436441) is 4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid is CCNC(=O)COc1csc(C(=O)O)c1.
What is the InChIKey of 4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The InChIKey is XINSCEIRPIHVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-2-10-8(11)4-14-6-3-7(9(12)13)15-5-6/h3,5H,2,4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66436441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).