2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C26H26F3N3O6S — CID 10076625

IUPAC2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc1
InChIInChI=1S/C26H26F3N3O6S/c1-16(2)23(24(34)26(27,28)29)30-22(33)15-32-21(17-7-5-4-6-8-17)14-13-20(25(32)35)31-39(36,37)19-11-9-18(38-3)10-12-19/h4-14,16,23,31H,15H2,1-3H3,(H,30,33)
InChIKeyVJJIICSWTNWWPY-UHFFFAOYSA-N
MW565.57 g/mol
LogP3.60
Rot. Bonds10

About 2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10076625) has the molecular formula C26H26F3N3O6S and a molecular weight of 565.57 g/mol. Its IUPAC name is 2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10076625
Molecular FormulaC26H26F3N3O6S
Molecular Weight565.57 g/mol
Exact Mass565.15
IUPAC Name2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc1
InChIInChI=1S/C26H26F3N3O6S/c1-16(2)23(24(34)26(27,28)29)30-22(33)15-32-21(17-7-5-4-6-8-17)14-13-20(25(32)35)31-39(36,37)19-11-9-18(38-3)10-12-19/h4-14,16,23,31H,15H2,1-3H3,(H,30,33)
InChIKeyVJJIICSWTNWWPY-UHFFFAOYSA-N
XLogP3.60
TPSA123.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.57
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10076625) is 2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc1.
What is the InChIKey of 2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is VJJIICSWTNWWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O6S/c1-16(2)23(24(34)26(27,28)29)30-22(33)15-32-21(17-7-5-4-6-8-17)14-13-20(25(32)35)31-39(36,37)19-11-9-18(38-3)10-12-19/h4-14,16,23,31H,15H2,1-3H3,(H,30,33).
What are the key properties of 2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 565.57 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxyphenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10076625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).