ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate

C19H26N2O4S — CID 53059358

IUPACethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)n1C
InChIInChI=1S/C19H26N2O4S/c1-8-25-19(22)17-14(5)18(15(6)21(17)7)26(23,24)20-16-12(3)9-11(2)10-13(16)4/h9-10,20H,8H2,1-7H3
InChIKeyTUKJEMJKCFIFNC-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.54
Rot. Bonds5

About ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate

ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate (PubChem CID 53059358) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate
PubChem CID53059358
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Nameethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)n1C
InChIInChI=1S/C19H26N2O4S/c1-8-25-19(22)17-14(5)18(15(6)21(17)7)26(23,24)20-16-12(3)9-11(2)10-13(16)4/h9-10,20H,8H2,1-7H3
InChIKeyTUKJEMJKCFIFNC-UHFFFAOYSA-N
XLogP3.54
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2-chloro-4-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059355
ethyl 4-[(4-bromo-3-methylphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059365
ethyl 4-[(2-methoxyphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059394
ethyl 4-(cycloheptylsulfamoyl)-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059325
ethyl 4-[(5-ethoxycarbonyl-1,2,4-trimethylpyrrol-3-yl)carbamoylamino]-1,3,5-trimethylpyrrole-2-carboxylate
CID 607270
ethyl 4-[(2,4-dimethylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 7117186
ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927335
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
ethyl 1,3,5-trimethyl-4-(methylcarbamoyl)pyrrole-2-carboxylate
CID 43953939
ethyl 4-(3,5-dibromobenzoyl)-1,3,5-trimethylpyrrole-2-carboxylate
CID 163793229
ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069179
ethane;ethyl 1,3,5-trimethylpyrrole-2-carboxylate
CID 155705747

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate (CID 53059358) is ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate is CCOC(=O)c1c(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)n1C.
What is the InChIKey of ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is TUKJEMJKCFIFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-8-25-19(22)17-14(5)18(15(6)21(17)7)26(23,24)20-16-12(3)9-11(2)10-13(16)4/h9-10,20H,8H2,1-7H3.
What are the key properties of ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate?
ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 378.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3,5-trimethyl-4-[(2,4,6-trimethylphenyl)sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 53059358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).