2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide

C23H24FN3O4S — CID 70071371

IUPAC2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide
SMILESCc1cc(CCc2ccccc2)c(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(N)=O
InChIInChI=1S/C23H24FN3O4S/c1-16-13-19(10-7-17-5-3-2-4-6-17)22(23(29)27(16)14-21(25)28)26-32(30,31)15-18-8-11-20(24)12-9-18/h2-6,8-9,11-13,26H,7,10,14-15H2,1H3,(H2,25,28)
InChIKeyGQVKQOGQFXVCHE-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.51
Rot. Bonds9

About 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide

2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide (PubChem CID 70071371) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide
PubChem CID70071371
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC Name2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide
SMILESCc1cc(CCc2ccccc2)c(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(N)=O
InChIInChI=1S/C23H24FN3O4S/c1-16-13-19(10-7-17-5-3-2-4-6-17)22(23(29)27(16)14-21(25)28)26-32(30,31)15-18-8-11-20(24)12-9-18/h2-6,8-9,11-13,26H,7,10,14-15H2,1H3,(H2,25,28)
InChIKeyGQVKQOGQFXVCHE-UHFFFAOYSA-N
XLogP2.51
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide (CID 70071371) is 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide is Cc1cc(CCc2ccccc2)c(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(N)=O.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide?
The InChIKey is GQVKQOGQFXVCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c1-16-13-19(10-7-17-5-3-2-4-6-17)22(23(29)27(16)14-21(25)28)26-32(30,31)15-18-8-11-20(24)12-9-18/h2-6,8-9,11-13,26H,7,10,14-15H2,1H3,(H2,25,28).
What are the key properties of 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide?
2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide has a molecular weight of 457.53 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-4-(2-phenylethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 70071371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).