4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid

C11H15NO6S2 — CID 61073938

IUPAC4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO6S2/c1-7(2)12(5-10(13)18-3)20(16,17)8-4-9(11(14)15)19-6-8/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyXKOQUBVUHCYNTG-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.02
Rot. Bonds6

About 4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid

4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61073938) has the molecular formula C11H15NO6S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61073938
Molecular FormulaC11H15NO6S2
Molecular Weight321.38 g/mol
Exact Mass321.03
IUPAC Name4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO6S2/c1-7(2)12(5-10(13)18-3)20(16,17)8-4-9(11(14)15)19-6-8/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyXKOQUBVUHCYNTG-UHFFFAOYSA-N
XLogP1.02
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-methylpropyl(propan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61074403
4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068102
4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 55151125
4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072437
methyl 2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 54942029
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61072691
methyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-propan-2-ylamino]acetate
CID 78878000
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate
CID 113337732
4-[ethyl(2-methylprop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55150197
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid
CID 60951869

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid (CID 61073938) is 4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid is COC(=O)CN(C(C)C)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is XKOQUBVUHCYNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S2/c1-7(2)12(5-10(13)18-3)20(16,17)8-4-9(11(14)15)19-6-8/h4,6-7H,5H2,1-3H3,(H,14,15).
What are the key properties of 4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid?
4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61073938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).