dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate

C17H18FNO6S2 — CID 9300951

IUPACdimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)NCCc2ccccc2F)c(C(=O)OC)c1C
InChIInChI=1S/C17H18FNO6S2/c1-10-13(15(20)24-2)17(26-14(10)16(21)25-3)27(22,23)19-9-8-11-6-4-5-7-12(11)18/h4-7,19H,8-9H2,1-3H3
InChIKeyYOVSORSTALEKCI-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.29
Rot. Bonds7

About dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 9300951) has the molecular formula C17H18FNO6S2 and a molecular weight of 415.46 g/mol. Its IUPAC name is dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate
PubChem CID9300951
Molecular FormulaC17H18FNO6S2
Molecular Weight415.46 g/mol
Exact Mass415.06
IUPAC Namedimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)NCCc2ccccc2F)c(C(=O)OC)c1C
InChIInChI=1S/C17H18FNO6S2/c1-10-13(15(20)24-2)17(26-14(10)16(21)25-3)27(22,23)19-9-8-11-6-4-5-7-12(11)18/h4-7,19H,8-9H2,1-3H3
InChIKeyYOVSORSTALEKCI-UHFFFAOYSA-N
XLogP2.29
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate (CID 9300951) is dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(S(=O)(=O)NCCc2ccccc2F)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is YOVSORSTALEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO6S2/c1-10-13(15(20)24-2)17(26-14(10)16(21)25-3)27(22,23)19-9-8-11-6-4-5-7-12(11)18/h4-7,19H,8-9H2,1-3H3.
What are the key properties of dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 415.46 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[2-(2-fluorophenyl)ethylsulfamoyl]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 9300951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).