N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide

C22H22FN3O4S — CID 53161475

IUPACN-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C22H22FN3O4S/c1-15-3-10-19(11-4-15)31(29,30)25-20-12-5-16(2)26(22(20)28)14-21(27)24-13-17-6-8-18(23)9-7-17/h3-12,25H,13-14H2,1-2H3,(H,24,27)
InChIKeyMNPBSRNEQJJHDL-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.72
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (PubChem CID 53161475) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
PubChem CID53161475
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C22H22FN3O4S/c1-15-3-10-19(11-4-15)31(29,30)25-20-12-5-16(2)26(22(20)28)14-21(27)24-13-17-6-8-18(23)9-7-17/h3-12,25H,13-14H2,1-2H3,(H,24,27)
InChIKeyMNPBSRNEQJJHDL-UHFFFAOYSA-N
XLogP2.72
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (CID 53161475) is N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is MNPBSRNEQJJHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-15-3-10-19(11-4-15)31(29,30)25-20-12-5-16(2)26(22(20)28)14-21(27)24-13-17-6-8-18(23)9-7-17/h3-12,25H,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53161475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).