ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate

C17H22N2O5S — CID 53069156

IUPACethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2)c(C)n1C
InChIInChI=1S/C17H22N2O5S/c1-5-24-17(20)15-10-16(12(2)19(15)3)25(21,22)18-11-13-6-8-14(23-4)9-7-13/h6-10,18H,5,11H2,1-4H3
InChIKeyLBYGMPFOGMBHDV-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.00
Rot. Bonds7

About ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate

ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate (PubChem CID 53069156) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
PubChem CID53069156
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Nameethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2)c(C)n1C
InChIInChI=1S/C17H22N2O5S/c1-5-24-17(20)15-10-16(12(2)19(15)3)25(21,22)18-11-13-6-8-14(23-4)9-7-13/h6-10,18H,5,11H2,1-4H3
InChIKeyLBYGMPFOGMBHDV-UHFFFAOYSA-N
XLogP2.00
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069179
ethyl 4-[(3-bromophenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069201
methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069006
ethyl 1,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylate
CID 53069183
ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927356
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
ethyl 4-(4-amino-3,5-dimethylphenyl)sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 177323112
ethyl 4-(azepan-1-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069155
ethyl 2-[(4-methoxyphenyl)methylamino]cyclohexene-1-carboxylate
CID 71499745
N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945312
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate (CID 53069156) is ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2)c(C)n1C.
What is the InChIKey of ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate?
The InChIKey is LBYGMPFOGMBHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-5-24-17(20)15-10-16(12(2)19(15)3)25(21,22)18-11-13-6-8-14(23-4)9-7-13/h6-10,18H,5,11H2,1-4H3.
What are the key properties of ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate?
ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 53069156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).