2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide

C22H21FN2O4S — CID 50928616

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21FN2O4S/c1-15-12-16(2)25(14-20(26)24-13-17-8-10-18(23)11-9-17)22(27)21(15)30(28,29)19-6-4-3-5-7-19/h3-12H,13-14H2,1-2H3,(H,24,26)
InChIKeyQYSBYGVLVGOPLE-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.75
Rot. Bonds6

About 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 50928616) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID50928616
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21FN2O4S/c1-15-12-16(2)25(14-20(26)24-13-17-8-10-18(23)11-9-17)22(27)21(15)30(28,29)19-6-4-3-5-7-19/h3-12H,13-14H2,1-2H3,(H,24,26)
InChIKeyQYSBYGVLVGOPLE-UHFFFAOYSA-N
XLogP2.75
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 50928616) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1cc(C)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is QYSBYGVLVGOPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-15-12-16(2)25(14-20(26)24-13-17-8-10-18(23)11-9-17)22(27)21(15)30(28,29)19-6-4-3-5-7-19/h3-12H,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 50928616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).