ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate

C16H20N2O5S — CID 22515821

IUPACethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)cn1C
InChIInChI=1S/C16H20N2O5S/c1-5-23-16(19)14-10-12(11-17(14)2)24(20,21)18(3)13-8-6-7-9-15(13)22-4/h6-11H,5H2,1-4H3
InChIKeyASSNBTQQMOZZRV-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.04
Rot. Bonds6

About ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate

ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 22515821) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID22515821
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Nameethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)cn1C
InChIInChI=1S/C16H20N2O5S/c1-5-23-16(19)14-10-12(11-17(14)2)24(20,21)18(3)13-8-6-7-9-15(13)22-4/h6-11H,5H2,1-4H3
InChIKeyASSNBTQQMOZZRV-UHFFFAOYSA-N
XLogP2.04
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(2-ethylphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 20938635
ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 120895490
ethyl 1-methyl-4-[methyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284046
ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284020
(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18205883
4-(diethylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 43060756
ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623746
ethyl 4-[[2-(azepan-1-yl)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 20930139
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865
N-(2-methoxyphenyl)-N,1-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 22519031
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
[2-(difluoromethoxy)phenyl]methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 46544901

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 22515821) is ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)cn1C.
What is the InChIKey of ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is ASSNBTQQMOZZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-5-23-16(19)14-10-12(11-17(14)2)24(20,21)18(3)13-8-6-7-9-15(13)22-4/h6-11H,5H2,1-4H3.
What are the key properties of ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 22515821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).