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

C12H19N3O5S — CID 60732233

IUPAC4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C12H19N3O5S/c1-4-13-11(16)8-15(5-2)21(19,20)9-6-10(12(17)18)14(3)7-9/h6-7H,4-5,8H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyDACRGMURDYIOQF-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.13
Rot. Bonds7

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

4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 60732233) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID60732233
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C12H19N3O5S/c1-4-13-11(16)8-15(5-2)21(19,20)9-6-10(12(17)18)14(3)7-9/h6-7H,4-5,8H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyDACRGMURDYIOQF-UHFFFAOYSA-N
XLogP-0.13
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[ethyl-[2-(ethylamino)-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-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43588539
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide
CID 51094143
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114463
4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60952297
4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 54878609
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114656
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644195

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 60732233) is 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid is CCNC(=O)CN(CC)S(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is DACRGMURDYIOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-4-13-11(16)8-15(5-2)21(19,20)9-6-10(12(17)18)14(3)7-9/h6-7H,4-5,8H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 60732233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).