4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid

C10H14N2O6S2 — CID 115588760

IUPAC4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCCNC(=O)CNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H14N2O6S2/c1-18-3-2-11-9(13)5-12-20(16,17)7-4-8(10(14)15)19-6-7/h4,6,12H,2-3,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyYHPFTMDYYKTVSF-UHFFFAOYSA-N
MW322.36 g/mol
LogP-0.51
Rot. Bonds8

About 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid

4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 115588760) has the molecular formula C10H14N2O6S2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID115588760
Molecular FormulaC10H14N2O6S2
Molecular Weight322.36 g/mol
Exact Mass322.03
IUPAC Name4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCCNC(=O)CNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H14N2O6S2/c1-18-3-2-11-9(13)5-12-20(16,17)7-4-8(10(14)15)19-6-7/h4,6,12H,2-3,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyYHPFTMDYYKTVSF-UHFFFAOYSA-N
XLogP-0.51
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
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-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 115578393
2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 26543777
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649
4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106185920
2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113225778
N-(2-methoxyethyl)-2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]acetamide
CID 112991190
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461
methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate
CID 120583848
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177
4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072744

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid (CID 115588760) is 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid is COCCNC(=O)CNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is YHPFTMDYYKTVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S2/c1-18-3-2-11-9(13)5-12-20(16,17)7-4-8(10(14)15)19-6-7/h4,6,12H,2-3,5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid?
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of -0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 115588760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).