4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid

C11H17NO6S2 — CID 63329093

IUPAC4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCOCCOCCNS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C11H17NO6S2/c1-8-10(7-9(19-8)11(13)14)20(15,16)12-3-4-18-6-5-17-2/h7,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyUIIUPGCEQXTUPB-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.70
Rot. Bonds9

About 4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63329093) has the molecular formula C11H17NO6S2 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63329093
Molecular FormulaC11H17NO6S2
Molecular Weight323.39 g/mol
Exact Mass323.05
IUPAC Name4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCOCCOCCNS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C11H17NO6S2/c1-8-10(7-9(19-8)11(13)14)20(15,16)12-3-4-18-6-5-17-2/h7,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyUIIUPGCEQXTUPB-UHFFFAOYSA-N
XLogP0.70
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 107216418
4-(3-ethylsulfanylpropylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 114247853
4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6503042
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-[(2-hydroxy-2-methylbutyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 65105337
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106120685
5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 106051218
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106275781

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63329093) is 4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid is COCCOCCNS(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is UIIUPGCEQXTUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6S2/c1-8-10(7-9(19-8)11(13)14)20(15,16)12-3-4-18-6-5-17-2/h7,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63329093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).