bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate

C15H22N2O8S — CID 164619346

IUPACbis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate
SMILESCOCCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OCCOC
InChIInChI=1S/C15H22N2O8S/c1-22-7-9-24-14(18)13(15(19)25-10-8-23-2)17-11-3-5-12(6-4-11)26(16,20)21/h3-6,13,17H,7-10H2,1-2H3,(H2,16,20,21)
InChIKeyTZZGDATUWBDUBQ-UHFFFAOYSA-N
MW390.41 g/mol
LogP-0.51
Rot. Bonds11

About bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate

bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate (PubChem CID 164619346) has the molecular formula C15H22N2O8S and a molecular weight of 390.41 g/mol. Its IUPAC name is bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate.

Molecular Properties

Compound Namebis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate
PubChem CID164619346
Molecular FormulaC15H22N2O8S
Molecular Weight390.41 g/mol
Exact Mass390.11
IUPAC Namebis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate
SMILESCOCCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OCCOC
InChIInChI=1S/C15H22N2O8S/c1-22-7-9-24-14(18)13(15(19)25-10-8-23-2)17-11-3-5-12(6-4-11)26(16,20)21/h3-6,13,17H,7-10H2,1-2H3,(H2,16,20,21)
InChIKeyTZZGDATUWBDUBQ-UHFFFAOYSA-N
XLogP-0.51
TPSA143.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate?
The IUPAC name of bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate (CID 164619346) is bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate.
What is the SMILES notation for bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate?
The canonical SMILES for bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate is COCCOC(=O)C(Nc1ccc(S(N)(=O)=O)cc1)C(=O)OCCOC.
What is the InChIKey of bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate?
The InChIKey is TZZGDATUWBDUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O8S/c1-22-7-9-24-14(18)13(15(19)25-10-8-23-2)17-11-3-5-12(6-4-11)26(16,20)21/h3-6,13,17H,7-10H2,1-2H3,(H2,16,20,21).
What are the key properties of bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate?
bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate has a molecular weight of 390.41 g/mol, XLogP of -0.51, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl) 2-(4-sulfamoylanilino)propanedioate is sourced from PubChem (CID 164619346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).