ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

C19H26N2O6S — CID 20927356

IUPACethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCc2cc(OC)ccc2OC)c(C)n(C)c1C
InChIInChI=1S/C19H26N2O6S/c1-7-27-19(22)17-12(2)21(4)13(3)18(17)28(23,24)20-11-14-10-15(25-5)8-9-16(14)26-6/h8-10,20H,7,11H2,1-6H3
InChIKeyFZNALDKGLUZSRH-UHFFFAOYSA-N
MW410.49 g/mol
LogP2.31
Rot. Bonds8

About ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 20927356) has the molecular formula C19H26N2O6S and a molecular weight of 410.49 g/mol. Its IUPAC name is ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID20927356
Molecular FormulaC19H26N2O6S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Nameethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCc2cc(OC)ccc2OC)c(C)n(C)c1C
InChIInChI=1S/C19H26N2O6S/c1-7-27-19(22)17-12(2)21(4)13(3)18(17)28(23,24)20-11-14-10-15(25-5)8-9-16(14)26-6/h8-10,20H,7,11H2,1-6H3
InChIKeyFZNALDKGLUZSRH-UHFFFAOYSA-N
XLogP2.31
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 22586150
ethyl 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate
CID 53009420
N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945312
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945519
3-[(2,5-dimethoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid
CID 9160130
ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate
CID 20927359
ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 22586129
ethyl 1,2,5-trimethyl-4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]pyrrole-3-carboxylate
CID 20938550
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069156

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (CID 20927356) is ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCc2cc(OC)ccc2OC)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is FZNALDKGLUZSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6S/c1-7-27-19(22)17-12(2)21(4)13(3)18(17)28(23,24)20-11-14-10-15(25-5)8-9-16(14)26-6/h8-10,20H,7,11H2,1-6H3.
What are the key properties of ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 410.49 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 20927356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).