4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

C12H20N2O5S — CID 81423115

IUPAC4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCCOCC(C)NS(=O)(=O)c1c(C)[nH]c(C(=O)O)c1C
InChIInChI=1S/C12H20N2O5S/c1-5-19-6-7(2)14-20(17,18)11-8(3)10(12(15)16)13-9(11)4/h7,13-14H,5-6H2,1-4H3,(H,15,16)
InChIKeyYGPWWEVTEQZARE-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.03
Rot. Bonds7

About 4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (PubChem CID 81423115) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
PubChem CID81423115
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCCOCC(C)NS(=O)(=O)c1c(C)[nH]c(C(=O)O)c1C
InChIInChI=1S/C12H20N2O5S/c1-5-19-6-7(2)14-20(17,18)11-8(3)10(12(15)16)13-9(11)4/h7,13-14H,5-6H2,1-4H3,(H,15,16)
InChIKeyYGPWWEVTEQZARE-UHFFFAOYSA-N
XLogP1.03
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-(1-methylsulfonylpropan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81435479
4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 106185815
3,5-dimethyl-4-(prop-2-ynylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423568
3,5-dimethyl-4-(prop-2-enylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423499
4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106054187
3,5-dimethyl-4-(pyrimidin-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423429
3-amino-4-(1-ethoxypropan-2-ylsulfamoyl)benzoic acid
CID 81471128
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
4-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 114755952
4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 83229318
ethyl 3,5-dimethyl-4-(2-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 53059285
5-bromo-4-(1-ethoxypropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62829182

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CID 81423115) is 4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is CCOCC(C)NS(=O)(=O)c1c(C)[nH]c(C(=O)O)c1C.
What is the InChIKey of 4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is YGPWWEVTEQZARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-5-19-6-7(2)14-20(17,18)11-8(3)10(12(15)16)13-9(11)4/h7,13-14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 81423115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).