4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C12H20N2O5S — CID 60952297

IUPAC4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCN(C(C)COC)S(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C12H20N2O5S/c1-5-14(9(2)8-19-4)20(17,18)10-6-11(12(15)16)13(3)7-10/h6-7,9H,5,8H2,1-4H3,(H,15,16)
InChIKeyOTNBJXHCAMPQAJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.77
Rot. Bonds7

About 4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 60952297) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID60952297
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCN(C(C)COC)S(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C12H20N2O5S/c1-5-14(9(2)8-19-4)20(17,18)10-6-11(12(15)16)13(3)7-10/h6-7,9H,5,8H2,1-4H3,(H,15,16)
InChIKeyOTNBJXHCAMPQAJ-UHFFFAOYSA-N
XLogP0.77
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-methoxypropan-2-yl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60950388
1-methyl-4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 54876209
1-methyl-4-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 112658017
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005
4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43588539
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 54876261
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60732233
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61111847
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644195

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 60952297) is 4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is CCN(C(C)COC)S(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is OTNBJXHCAMPQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-5-14(9(2)8-19-4)20(17,18)10-6-11(12(15)16)13(3)7-10/h6-7,9H,5,8H2,1-4H3,(H,15,16).
What are the key properties of 4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 60952297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).