4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid

C11H16N2O6S — CID 43644286

IUPAC4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NCC(=O)OC)cc1C(=O)O
InChIInChI=1S/C11H16N2O6S/c1-3-4-13-7-8(5-9(13)11(15)16)20(17,18)12-6-10(14)19-2/h5,7,12H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyPWWJZVIRGNOOIV-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.05
Rot. Bonds7

About 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid

4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid (PubChem CID 43644286) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
PubChem CID43644286
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NCC(=O)OC)cc1C(=O)O
InChIInChI=1S/C11H16N2O6S/c1-3-4-13-7-8(5-9(13)11(15)16)20(17,18)12-6-10(14)19-2/h5,7,12H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyPWWJZVIRGNOOIV-UHFFFAOYSA-N
XLogP0.05
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-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-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 64571046
4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 62693061
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 66169532
4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 115358273
4-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 66185336
4-[3-(ethylamino)propylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61403782
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61464739
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 82925470
4-(2-prop-2-enylsulfanylethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 106426813
4-(hex-1-yn-3-ylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 106224200

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid (CID 43644286) is 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid is CCCn1cc(S(=O)(=O)NCC(=O)OC)cc1C(=O)O.
What is the InChIKey of 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The InChIKey is PWWJZVIRGNOOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-3-4-13-7-8(5-9(13)11(15)16)20(17,18)12-6-10(14)19-2/h5,7,12H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).