N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide

C24H19FN2O4S — CID 155543027

IUPACN-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide
SMILESCc1cc(-c2cncc(F)c2)cc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C24H19FN2O4S/c1-16-8-19(20-10-21(25)14-26-13-20)12-23(9-16)32(29,30)27-24(28)15-31-22-7-6-17-4-2-3-5-18(17)11-22/h2-14H,15H2,1H3,(H,27,28)
InChIKeyLQBJVNQSVUTKCW-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.23
Rot. Bonds6

About N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide

N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide (PubChem CID 155543027) has the molecular formula C24H19FN2O4S and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide
PubChem CID155543027
Molecular FormulaC24H19FN2O4S
Molecular Weight450.49 g/mol
Exact Mass450.10
IUPAC NameN-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide
SMILESCc1cc(-c2cncc(F)c2)cc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C24H19FN2O4S/c1-16-8-19(20-10-21(25)14-26-13-20)12-23(9-16)32(29,30)27-24(28)15-31-22-7-6-17-4-2-3-5-18(17)11-22/h2-14H,15H2,1H3,(H,27,28)
InChIKeyLQBJVNQSVUTKCW-UHFFFAOYSA-N
XLogP4.23
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide (CID 155543027) is N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide is Cc1cc(-c2cncc(F)c2)cc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide?
The InChIKey is LQBJVNQSVUTKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4S/c1-16-8-19(20-10-21(25)14-26-13-20)12-23(9-16)32(29,30)27-24(28)15-31-22-7-6-17-4-2-3-5-18(17)11-22/h2-14H,15H2,1H3,(H,27,28).
What are the key properties of N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide?
N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide has a molecular weight of 450.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-3-pyridinyl)-5-methylphenyl]sulfonyl-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 155543027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).