2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide

C11H17N3O5S — CID 79473829

IUPAC2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)COCCN
InChIInChI=1S/C11H17N3O5S/c1-18-10-3-2-8(20(13,16)17)6-9(10)14-11(15)7-19-5-4-12/h2-3,6H,4-5,7,12H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyOMHVMHCJZGEOHG-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.74
Rot. Bonds7

About 2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide

2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide (PubChem CID 79473829) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
PubChem CID79473829
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)COCCN
InChIInChI=1S/C11H17N3O5S/c1-18-10-3-2-8(20(13,16)17)6-9(10)14-11(15)7-19-5-4-12/h2-3,6H,4-5,7,12H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyOMHVMHCJZGEOHG-UHFFFAOYSA-N
XLogP-0.74
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.74
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide (CID 79473829) is 2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide?
The InChIKey is OMHVMHCJZGEOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-18-10-3-2-8(20(13,16)17)6-9(10)14-11(15)7-19-5-4-12/h2-3,6H,4-5,7,12H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide?
2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide has a molecular weight of 303.34 g/mol, XLogP of -0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide is sourced from PubChem (CID 79473829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).