methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C19H23FN2O4S2 — CID 126466163

IUPACmethyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)Nc2cccc(F)c2)sc2c1CCN(CC(C)C)C2
InChIInChI=1S/C19H23FN2O4S2/c1-12(2)10-22-8-7-15-16(11-22)27-19(17(15)18(23)26-3)28(24,25)21-14-6-4-5-13(20)9-14/h4-6,9,12,21H,7-8,10-11H2,1-3H3
InChIKeyYXJURRNLRSKJKD-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.49
Rot. Bonds6

About methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 126466163) has the molecular formula C19H23FN2O4S2 and a molecular weight of 426.54 g/mol. Its IUPAC name is methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID126466163
Molecular FormulaC19H23FN2O4S2
Molecular Weight426.54 g/mol
Exact Mass426.11
IUPAC Namemethyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)Nc2cccc(F)c2)sc2c1CCN(CC(C)C)C2
InChIInChI=1S/C19H23FN2O4S2/c1-12(2)10-22-8-7-15-16(11-22)27-19(17(15)18(23)26-3)28(24,25)21-14-6-4-5-13(20)9-14/h4-6,9,12,21H,7-8,10-11H2,1-3H3
InChIKeyYXJURRNLRSKJKD-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 126466163) is methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(S(=O)(=O)Nc2cccc(F)c2)sc2c1CCN(CC(C)C)C2.
What is the InChIKey of methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is YXJURRNLRSKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S2/c1-12(2)10-22-8-7-15-16(11-22)27-19(17(15)18(23)26-3)28(24,25)21-14-6-4-5-13(20)9-14/h4-6,9,12,21H,7-8,10-11H2,1-3H3.
What are the key properties of methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 426.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluorophenyl)sulfamoyl]-6-(2-methylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 126466163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).