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

C23H25N3O4S — CID 53161472

IUPAC2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC(C)c3ccccc3)c2=O)cc1
InChIInChI=1S/C23H25N3O4S/c1-16-9-12-20(13-10-16)31(29,30)25-21-14-11-17(2)26(23(21)28)15-22(27)24-18(3)19-7-5-4-6-8-19/h4-14,18,25H,15H2,1-3H3,(H,24,27)
InChIKeyUPIYVKNMRBSTNT-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.14
Rot. Bonds7

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

2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide (PubChem CID 53161472) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide
PubChem CID53161472
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC(C)c3ccccc3)c2=O)cc1
InChIInChI=1S/C23H25N3O4S/c1-16-9-12-20(13-10-16)31(29,30)25-21-14-11-17(2)26(23(21)28)15-22(27)24-18(3)19-7-5-4-6-8-19/h4-14,18,25H,15H2,1-3H3,(H,24,27)
InChIKeyUPIYVKNMRBSTNT-UHFFFAOYSA-N
XLogP3.14
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide (CID 53161472) is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC(C)c3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide?
The InChIKey is UPIYVKNMRBSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16-9-12-20(13-10-16)31(29,30)25-21-14-11-17(2)26(23(21)28)15-22(27)24-18(3)19-7-5-4-6-8-19/h4-14,18,25H,15H2,1-3H3,(H,24,27).
What are the key properties of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide?
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 53161472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).