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

C19H25N3O4S — CID 53161483

IUPAC2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCC(C)C)c2=O)cc1
InChIInChI=1S/C19H25N3O4S/c1-13(2)11-20-18(23)12-22-15(4)7-10-17(19(22)24)21-27(25,26)16-8-5-14(3)6-9-16/h5-10,13,21H,11-12H2,1-4H3,(H,20,23)
InChIKeyIXJQYCCXWNJIPA-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.04
Rot. Bonds7

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

2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide (PubChem CID 53161483) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide
PubChem CID53161483
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCC(C)C)c2=O)cc1
InChIInChI=1S/C19H25N3O4S/c1-13(2)11-20-18(23)12-22-15(4)7-10-17(19(22)24)21-27(25,26)16-8-5-14(3)6-9-16/h5-10,13,21H,11-12H2,1-4H3,(H,20,23)
InChIKeyIXJQYCCXWNJIPA-UHFFFAOYSA-N
XLogP2.04
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.04
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-(2-methylpropyl)acetamide?
The IUPAC name of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide (CID 53161483) is 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCC(C)C)c2=O)cc1.
What is the InChIKey of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide?
The InChIKey is IXJQYCCXWNJIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13(2)11-20-18(23)12-22-15(4)7-10-17(19(22)24)21-27(25,26)16-8-5-14(3)6-9-16/h5-10,13,21H,11-12H2,1-4H3,(H,20,23).
What are the key properties of 2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide?
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 2.04, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 53161483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).