N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide

C22H24N2O5S — CID 75434277

IUPACN-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide
SMILESCS(=O)(=O)CCn1cccc(NC(=O)CCCOc2cccc3ccccc23)c1=O
InChIInChI=1S/C22H24N2O5S/c1-30(27,28)16-14-24-13-5-10-19(22(24)26)23-21(25)12-6-15-29-20-11-4-8-17-7-2-3-9-18(17)20/h2-5,7-11,13H,6,12,14-16H2,1H3,(H,23,25)
InChIKeyCUSQRQVXOHLLEN-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.84
Rot. Bonds9

About N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide

N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide (PubChem CID 75434277) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide
PubChem CID75434277
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide
SMILESCS(=O)(=O)CCn1cccc(NC(=O)CCCOc2cccc3ccccc23)c1=O
InChIInChI=1S/C22H24N2O5S/c1-30(27,28)16-14-24-13-5-10-19(22(24)26)23-21(25)12-6-15-29-20-11-4-8-17-7-2-3-9-18(17)20/h2-5,7-11,13H,6,12,14-16H2,1H3,(H,23,25)
InChIKeyCUSQRQVXOHLLEN-UHFFFAOYSA-N
XLogP2.84
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide (CID 75434277) is N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide is CS(=O)(=O)CCn1cccc(NC(=O)CCCOc2cccc3ccccc23)c1=O.
What is the InChIKey of N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide?
The InChIKey is CUSQRQVXOHLLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-30(27,28)16-14-24-13-5-10-19(22(24)26)23-21(25)12-6-15-29-20-11-4-8-17-7-2-3-9-18(17)20/h2-5,7-11,13H,6,12,14-16H2,1H3,(H,23,25).
What are the key properties of N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide?
N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide has a molecular weight of 428.51 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonylethyl)-2-oxo-3-pyridinyl]-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 75434277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).