propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate

C18H19FN2O6S — CID 67782956

IUPACpropan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(C(=O)NS(=O)(=O)CCOc2ccc(F)cc2)cn1
InChIInChI=1S/C18H19FN2O6S/c1-12(2)27-18(23)16-8-3-13(11-20-16)17(22)21-28(24,25)10-9-26-15-6-4-14(19)5-7-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyPFMXTGPMYNBUTH-UHFFFAOYSA-N
MW410.42 g/mol
LogP1.92
Rot. Bonds8

About propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate

propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 67782956) has the molecular formula C18H19FN2O6S and a molecular weight of 410.42 g/mol. Its IUPAC name is propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID67782956
Molecular FormulaC18H19FN2O6S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Namepropan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(C(=O)NS(=O)(=O)CCOc2ccc(F)cc2)cn1
InChIInChI=1S/C18H19FN2O6S/c1-12(2)27-18(23)16-8-3-13(11-20-16)17(22)21-28(24,25)10-9-26-15-6-4-14(19)5-7-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyPFMXTGPMYNBUTH-UHFFFAOYSA-N
XLogP1.92
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(2-phenoxyethylsulfonylcarbamoyl)pyridine-2-carboxylate
CID 19928091
ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928247
propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
dimethyl 2-[2-(4-fluorophenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate
CID 90518567
ethyl 5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carboxylate
CID 19928468
[5-[[2-(4-fluorophenyl)-2-hydroxyethyl]sulfonylcarbamoyl]-2-pyridinyl]methyl acetate
CID 67866040
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
propan-2-yl 5-[[4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54411061
[5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749212
bis(1-oxo-1-propan-2-yloxypropan-2-yl) pyridine-2,5-dicarboxylate
CID 14210543
propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 67712587

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate (CID 67782956) is propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate is CC(C)OC(=O)c1ccc(C(=O)NS(=O)(=O)CCOc2ccc(F)cc2)cn1.
What is the InChIKey of propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is PFMXTGPMYNBUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O6S/c1-12(2)27-18(23)16-8-3-13(11-20-16)17(22)21-28(24,25)10-9-26-15-6-4-14(19)5-7-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,22).
What are the key properties of propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 410.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[2-(4-fluorophenoxy)ethylsulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 67782956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).