methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate

C16H20N2O5S — CID 2810307

IUPACmethyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2OC)n1C
InChIInChI=1S/C16H20N2O5S/c1-18-13(16(19)23-3)8-9-15(18)24(20,21)17-11-10-12-6-4-5-7-14(12)22-2/h4-9,17H,10-11H2,1-3H3
InChIKeyAPSIHIVWCOGYPK-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.34
Rot. Bonds7

About methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 2810307) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID2810307
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Namemethyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2OC)n1C
InChIInChI=1S/C16H20N2O5S/c1-18-13(16(19)23-3)8-9-15(18)24(20,21)17-11-10-12-6-4-5-7-14(12)22-2/h4-9,17H,10-11H2,1-3H3
InChIKeyAPSIHIVWCOGYPK-UHFFFAOYSA-N
XLogP1.34
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 2810307) is methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2OC)n1C.
What is the InChIKey of methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is APSIHIVWCOGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-18-13(16(19)23-3)8-9-15(18)24(20,21)17-11-10-12-6-4-5-7-14(12)22-2/h4-9,17H,10-11H2,1-3H3.
What are the key properties of methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-methoxyphenyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2810307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).