ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate

C19H25N3O5S — CID 22586151

IUPACethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCC(=O)Nc2ccc(C)cc2)c(C)n(C)c1C
InChIInChI=1S/C19H25N3O5S/c1-6-27-19(24)17-13(3)22(5)14(4)18(17)28(25,26)20-11-16(23)21-15-9-7-12(2)8-10-15/h7-10,20H,6,11H2,1-5H3,(H,21,23)
InChIKeyXOZVGVXKMVEYFC-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.04
Rot. Bonds7

About ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate

ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate (PubChem CID 22586151) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate
PubChem CID22586151
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Nameethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCC(=O)Nc2ccc(C)cc2)c(C)n(C)c1C
InChIInChI=1S/C19H25N3O5S/c1-6-27-19(24)17-13(3)22(5)14(4)18(17)28(25,26)20-11-16(23)21-15-9-7-12(2)8-10-15/h7-10,20H,6,11H2,1-5H3,(H,21,23)
InChIKeyXOZVGVXKMVEYFC-UHFFFAOYSA-N
XLogP2.04
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 22586129
ethyl 1,2,5-trimethyl-4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-3-carboxylate
CID 46365429
ethyl 1,2,5-trimethyl-4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]pyrrole-3-carboxylate
CID 20938550
ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate
CID 20927359
ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 22586150
ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927356
ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927335
ethyl 4-[[2-[4-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938396
ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938434
ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938446
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
ethyl 1,2,5-trimethyl-4-(3-morpholin-4-ylbutylsulfamoyl)pyrrole-3-carboxylate
CID 20938556

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate (CID 22586151) is ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCC(=O)Nc2ccc(C)cc2)c(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate?
The InChIKey is XOZVGVXKMVEYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-6-27-19(24)17-13(3)22(5)14(4)18(17)28(25,26)20-11-16(23)21-15-9-7-12(2)8-10-15/h7-10,20H,6,11H2,1-5H3,(H,21,23).
What are the key properties of ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate?
ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate has a molecular weight of 407.49 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-trimethyl-4-[[2-(4-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-3-carboxylate is sourced from PubChem (CID 22586151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).