methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

C23H20FN3O6S — CID 19928204

IUPACmethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C23H20FN3O6S/c1-33-23(30)20-11-6-17(14-26-20)22(29)27-34(31,32)19-9-2-15(3-10-19)12-13-25-21(28)16-4-7-18(24)8-5-16/h2-11,14H,12-13H2,1H3,(H,25,28)(H,27,29)
InChIKeyGAEMSPFPIPRVOP-UHFFFAOYSA-N
MW485.49 g/mol
LogP2.10
Rot. Bonds8

About methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928204) has the molecular formula C23H20FN3O6S and a molecular weight of 485.49 g/mol. Its IUPAC name is methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928204
Molecular FormulaC23H20FN3O6S
Molecular Weight485.49 g/mol
Exact Mass485.11
IUPAC Namemethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C23H20FN3O6S/c1-33-23(30)20-11-6-17(14-26-20)22(29)27-34(31,32)19-9-2-15(3-10-19)12-13-25-21(28)16-4-7-18(24)8-5-16/h2-11,14H,12-13H2,1H3,(H,25,28)(H,27,29)
InChIKeyGAEMSPFPIPRVOP-UHFFFAOYSA-N
XLogP2.10
TPSA131.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate with MolForge

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Related Compounds

Ethyl 4-[4-(pyridine-2-carbonyl)piperazin-1-yl]sulfonylbenzoate
CID 2107828
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylpyrrole-2-carboxylate
CID 4847522
4-(Morpholine-4-sulfonyl)-benzoic acid 2-[(pyridine-3-carbonyl)-amino]-ethyl ester
CID 655771
2-(Pyridine-3-carbonylamino)ethyl 4-(diethylsulfamoyl)benzoate
CID 2322587
Methyl 4-[({1-[(3-fluorophenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 16025313
Methyl 4-[({1-[(2-fluorophenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 16025635
Methyl 4-[({1-[(4-fluorophenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 16025311
Methyl 4-[({1-[(4-fluorophenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 16025631
Methyl 4-[({1-[(3-fluorophenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 16025637
Methyl 5-[3-[2-(3-fluorophenyl)ethylsulfamoyl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 145955957
[3-(2,2-Dimethylpropanoylamino)-2-pyridinyl]methyl 2-(2-fluoro-4-sulfamoylbenzoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 126720525
Methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate
CID 146600938

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928204) is methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is COC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cn1.
What is the InChIKey of methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is GAEMSPFPIPRVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O6S/c1-33-23(30)20-11-6-17(14-26-20)22(29)27-34(31,32)19-9-2-15(3-10-19)12-13-25-21(28)16-4-7-18(24)8-5-16/h2-11,14H,12-13H2,1H3,(H,25,28)(H,27,29).
What are the key properties of methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 485.49 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).