5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid

C8H9NO6S2 — CID 139663926

IUPAC5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
SMILESCCOC(=O)c1sc(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C8H9NO6S2/c1-2-15-8(12)6-5(17(9,13)14)3-4(16-6)7(10)11/h3H,2H2,1H3,(H,10,11)(H2,9,13,14)
InChIKeyPCKBJRAIOKMLAY-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.27
Rot. Bonds4

About 5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid

5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid (PubChem CID 139663926) has the molecular formula C8H9NO6S2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
PubChem CID139663926
Molecular FormulaC8H9NO6S2
Molecular Weight279.30 g/mol
Exact Mass278.99
IUPAC Name5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
SMILESCCOC(=O)c1sc(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C8H9NO6S2/c1-2-15-8(12)6-5(17(9,13)14)3-4(16-6)7(10)11/h3H,2H2,1H3,(H,10,11)(H2,9,13,14)
InChIKeyPCKBJRAIOKMLAY-UHFFFAOYSA-N
XLogP0.27
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxycarbonyl-4-sulfothiophene-2-carboxylic acid
CID 139663930
5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
CID 139663921
2,5-bis(ethoxycarbonyl)thiophene-3-sulfonic acid
CID 139663947
ethyl 4-hydroxy-5-methylthiophene-2-carboxylate
CID 588232
ethyl 5-methyl-4-phenylthiophene-2-carboxylate;5-methyl-4-phenylthiophene-2-carboxylic acid
CID 161205106
2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 112689917
2,5-bis(2-methylpropoxycarbonyl)thiophene-3-sulfonic acid
CID 139663920
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 66714979
ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate
CID 18434656
ethyl 5-iodo-2-sulfamoylbenzoate
CID 19376834
3-tert-butylthiophene-2,5-dicarboxylic acid
CID 19860161

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid?
The IUPAC name of 5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid (CID 139663926) is 5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid is CCOC(=O)c1sc(C(=O)O)cc1S(N)(=O)=O.
What is the InChIKey of 5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid?
The InChIKey is PCKBJRAIOKMLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO6S2/c1-2-15-8(12)6-5(17(9,13)14)3-4(16-6)7(10)11/h3H,2H2,1H3,(H,10,11)(H2,9,13,14).
What are the key properties of 5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid?
5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid is sourced from PubChem (CID 139663926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).