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

C20H23FN2O4S2 — CID 126466343

IUPACmethyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)NCc2ccccc2F)sc2c1CCN(CC1CC1)C2
InChIInChI=1S/C20H23FN2O4S2/c1-27-19(24)18-15-8-9-23(11-13-6-7-13)12-17(15)28-20(18)29(25,26)22-10-14-4-2-3-5-16(14)21/h2-5,13,22H,6-12H2,1H3
InChIKeyDBDFFJROMYVXFN-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.92
Rot. Bonds7

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

methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 126466343) has the molecular formula C20H23FN2O4S2 and a molecular weight of 438.55 g/mol. Its IUPAC name is methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID126466343
Molecular FormulaC20H23FN2O4S2
Molecular Weight438.55 g/mol
Exact Mass438.11
IUPAC Namemethyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)NCc2ccccc2F)sc2c1CCN(CC1CC1)C2
InChIInChI=1S/C20H23FN2O4S2/c1-27-19(24)18-15-8-9-23(11-13-6-7-13)12-17(15)28-20(18)29(25,26)22-10-14-4-2-3-5-16(14)21/h2-5,13,22H,6-12H2,1H3
InChIKeyDBDFFJROMYVXFN-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-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 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 126466343) is methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(S(=O)(=O)NCc2ccccc2F)sc2c1CCN(CC1CC1)C2.
What is the InChIKey of methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is DBDFFJROMYVXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S2/c1-27-19(24)18-15-8-9-23(11-13-6-7-13)12-17(15)28-20(18)29(25,26)22-10-14-4-2-3-5-16(14)21/h2-5,13,22H,6-12H2,1H3.
What are the key properties of methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 438.55 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopropylmethyl)-2-[(2-fluorophenyl)methylsulfamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 126466343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).