ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

C18H24N2O4S — CID 20927253

IUPACethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)N(C)Cc2ccccc2)c(C)n(C)c1C
InChIInChI=1S/C18H24N2O4S/c1-6-24-18(21)16-13(2)20(5)14(3)17(16)25(22,23)19(4)12-15-10-8-7-9-11-15/h7-11H,6,12H2,1-5H3
InChIKeyBPGOMLBPOLBLIM-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.64
Rot. Bonds6

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

ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 20927253) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID20927253
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Nameethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)N(C)Cc2ccccc2)c(C)n(C)c1C
InChIInChI=1S/C18H24N2O4S/c1-6-24-18(21)16-13(2)20(5)14(3)17(16)25(22,23)19(4)12-15-10-8-7-9-11-15/h7-11H,6,12H2,1-5H3
InChIKeyBPGOMLBPOLBLIM-UHFFFAOYSA-N
XLogP2.64
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1,2,5-trimethyl-4-(morpholinosulfonyl)-1H-pyrrole-3-carboxylate
CID 2742869
ethyl 1-benzyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 661090
ethyl 2,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrole-3-carboxylate
CID 3245438
ethyl 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 5236932
ethyl 2,5-dimethyl-4-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-1H-pyrrole-3-carboxylate
CID 16023251
ethyl 4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 16024270
ethyl 4-({4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 16025410
Ethyl 4-[({[(2-chlorophenyl)methyl]carbamoyl}methyl)sulfamoyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 16033382
Ethyl 1,2,5-trimethyl-4-[({[(4-methylphenyl)methyl]carbamoyl}methyl)sulfamoyl]-1H-pyrrole-3-carboxylate
CID 16033386
Ethyl 4-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-YL}sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 16033532
ethyl 4-[(3-{[4-(2,3-dimethylphenyl)piperazino]carbonyl}piperidino)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 16033625
Ethyl 4-({3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-YL}sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 16033626

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (CID 20927253) is ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)N(C)Cc2ccccc2)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is BPGOMLBPOLBLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-6-24-18(21)16-13(2)20(5)14(3)17(16)25(22,23)19(4)12-15-10-8-7-9-11-15/h7-11H,6,12H2,1-5H3.
What are the key properties of ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 364.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[benzyl(methyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 20927253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).