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

C24H22FN3O6S — CID 19928001

IUPACethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C24H22FN3O6S/c1-2-34-24(31)21-12-7-18(15-27-21)23(30)28-35(32,33)20-10-3-16(4-11-20)13-14-26-22(29)17-5-8-19(25)9-6-17/h3-12,15H,2,13-14H2,1H3,(H,26,29)(H,28,30)
InChIKeyFJEYFLMHSWCSDO-UHFFFAOYSA-N
MW499.52 g/mol
LogP2.49
Rot. Bonds9

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

ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928001) has the molecular formula C24H22FN3O6S and a molecular weight of 499.52 g/mol. Its IUPAC name is ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928001
Molecular FormulaC24H22FN3O6S
Molecular Weight499.52 g/mol
Exact Mass499.12
IUPAC Nameethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C24H22FN3O6S/c1-2-34-24(31)21-12-7-18(15-27-21)23(30)28-35(32,33)20-10-3-16(4-11-20)13-14-26-22(29)17-5-8-19(25)9-6-17/h3-12,15H,2,13-14H2,1H3,(H,26,29)(H,28,30)
InChIKeyFJEYFLMHSWCSDO-UHFFFAOYSA-N
XLogP2.49
TPSA131.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928001) is ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is CCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cn1.
What is the InChIKey of ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is FJEYFLMHSWCSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O6S/c1-2-34-24(31)21-12-7-18(15-27-21)23(30)28-35(32,33)20-10-3-16(4-11-20)13-14-26-22(29)17-5-8-19(25)9-6-17/h3-12,15H,2,13-14H2,1H3,(H,26,29)(H,28,30).
What are the key properties of ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 499.52 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-[2-[(4-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).