4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C11H17N3O6S — CID 115578393

IUPAC4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCOCCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C11H17N3O6S/c1-14-7-8(5-9(14)11(16)17)21(18,19)13-6-10(15)12-3-4-20-2/h5,7,13H,3-4,6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyKMECCKPNLZLGPR-UHFFFAOYSA-N
MW319.34 g/mol
LogP-1.24
Rot. Bonds8

About 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 115578393) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID115578393
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Name4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCOCCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C11H17N3O6S/c1-14-7-8(5-9(14)11(16)17)21(18,19)13-6-10(15)12-3-4-20-2/h5,7,13H,3-4,6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyKMECCKPNLZLGPR-UHFFFAOYSA-N
XLogP-1.24
TPSA126.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 115588760
4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43420801
2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 26543777
1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43552078
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
N-(2-methoxyethyl)-2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]acetamide
CID 112991190
4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 61403394
1-methyl-4-(4-methylsulfanylbutylsulfamoyl)pyrrole-2-carboxylic acid
CID 113437792
4-[(2-amino-2-oxoethoxy)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 112672409
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 65312614

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 115578393) is 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid is COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is KMECCKPNLZLGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6S/c1-14-7-8(5-9(14)11(16)17)21(18,19)13-6-10(15)12-3-4-20-2/h5,7,13H,3-4,6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of -1.24, 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]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 115578393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).