1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid

C14H24N2O4S — CID 79482168

IUPAC1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(C(=O)O)n(CC)c1
InChIInChI=1S/C14H24N2O4S/c1-5-11(4)9-16(7-3)21(19,20)12-8-13(14(17)18)15(6-2)10-12/h8,10-11H,5-7,9H2,1-4H3,(H,17,18)
InChIKeyMKVKKSCVQOFOJF-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.26
Rot. Bonds8

About 1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid

1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 79482168) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID79482168
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(C(=O)O)n(CC)c1
InChIInChI=1S/C14H24N2O4S/c1-5-11(4)9-16(7-3)21(19,20)12-8-13(14(17)18)15(6-2)10-12/h8,10-11H,5-7,9H2,1-4H3,(H,17,18)
InChIKeyMKVKKSCVQOFOJF-UHFFFAOYSA-N
XLogP2.26
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butan-2-yl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644524
4-[2-cyanoethyl(ethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 60951093
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644195
4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79477252
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 82944674
1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide
CID 79472119
4-[3-(dimethylamino)propyl-methylsulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 63694139
1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 66091074
4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644518
4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 60952181
1-ethyl-4-[2-methoxyethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 61041453
4-[benzyl(2-methoxyethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 113224412

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid (CID 79482168) is 1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid is CCC(C)CN(CC)S(=O)(=O)c1cc(C(=O)O)n(CC)c1.
What is the InChIKey of 1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is MKVKKSCVQOFOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-11(4)9-16(7-3)21(19,20)12-8-13(14(17)18)15(6-2)10-12/h8,10-11H,5-7,9H2,1-4H3,(H,17,18).
What are the key properties of 1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid?
1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 316.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79482168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).