2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate

C9H13NO5S2 — CID 112689917

IUPAC2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
SMILESCOCCOC(=O)c1cc(S(N)(=O)=O)c(C)s1
InChIInChI=1S/C9H13NO5S2/c1-6-8(17(10,12)13)5-7(16-6)9(11)15-4-3-14-2/h5H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyUJPMGWPMDCIQRN-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.51
Rot. Bonds5

About 2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate

2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate (PubChem CID 112689917) has the molecular formula C9H13NO5S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
PubChem CID112689917
Molecular FormulaC9H13NO5S2
Molecular Weight279.34 g/mol
Exact Mass279.02
IUPAC Name2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
SMILESCOCCOC(=O)c1cc(S(N)(=O)=O)c(C)s1
InChIInChI=1S/C9H13NO5S2/c1-6-8(17(10,12)13)5-7(16-6)9(11)15-4-3-14-2/h5H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyUJPMGWPMDCIQRN-UHFFFAOYSA-N
XLogP0.51
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 115615927
2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676797
N-(2,2-dimethylpropyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 112689693
(3,5-dimethylcyclohexyl) 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 115994151
N-(2-cyclopentyloxyethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612435
4-methylpentyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676798
5-methyl-N-(2-methylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 112676814
N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide
CID 112689674
2-methoxyethyl 5-methylthiophene-2-carboxylate
CID 78830752
5-methyl-N-(oxan-4-ylmethyl)-4-sulfamoylthiophene-2-carboxamide
CID 115612472
4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329093
N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689667

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate?
The IUPAC name of 2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate (CID 112689917) is 2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate.
What is the SMILES notation for 2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate?
The canonical SMILES for 2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate is COCCOC(=O)c1cc(S(N)(=O)=O)c(C)s1.
What is the InChIKey of 2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate?
The InChIKey is UJPMGWPMDCIQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S2/c1-6-8(17(10,12)13)5-7(16-6)9(11)15-4-3-14-2/h5H,3-4H2,1-2H3,(H2,10,12,13).
What are the key properties of 2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate?
2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate is sourced from PubChem (CID 112689917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).