ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

C20H27N3O5S — CID 22586129

IUPACethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCC(=O)Nc2cccc(C)c2C)c(C)n(C)c1C
InChIInChI=1S/C20H27N3O5S/c1-7-28-20(25)18-14(4)23(6)15(5)19(18)29(26,27)21-11-17(24)22-16-10-8-9-12(2)13(16)3/h8-10,21H,7,11H2,1-6H3,(H,22,24)
InChIKeyYTFCTWUQISVGTO-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.35
Rot. Bonds7

About ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 22586129) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID22586129
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Nameethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCC(=O)Nc2cccc(C)c2C)c(C)n(C)c1C
InChIInChI=1S/C20H27N3O5S/c1-7-28-20(25)18-14(4)23(6)15(5)19(18)29(26,27)21-11-17(24)22-16-10-8-9-12(2)13(16)3/h8-10,21H,7,11H2,1-6H3,(H,22,24)
InChIKeyYTFCTWUQISVGTO-UHFFFAOYSA-N
XLogP2.35
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate
CID 22586151
ethyl 1,2,5-trimethyl-4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-3-carboxylate
CID 46365429
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 9342508
N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 112996749
ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate
CID 20927359
ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927335
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 9342016
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 22586150
ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938434
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943206

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (CID 22586129) is ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCC(=O)Nc2cccc(C)c2C)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is YTFCTWUQISVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-7-28-20(25)18-14(4)23(6)15(5)19(18)29(26,27)21-11-17(24)22-16-10-8-9-12(2)13(16)3/h8-10,21H,7,11H2,1-6H3,(H,22,24).
What are the key properties of ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 421.52 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 22586129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).