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

C27H27F3N4O6S — CID 10416037

IUPAC2-[3-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)c1
InChIInChI=1S/C27H27F3N4O6S/c1-16(2)24(25(37)27(28,29)30)32-23(36)15-34-22(18-8-5-4-6-9-18)13-12-21(26(34)38)33-41(39,40)20-11-7-10-19(14-20)31-17(3)35/h4-14,16,24,33H,15H2,1-3H3,(H,31,35)(H,32,36)
InChIKeyFZZUHPRSTQGLKU-UHFFFAOYSA-N
MW592.60 g/mol
LogP3.55
Rot. Bonds10

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

2-[3-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10416037) has the molecular formula C27H27F3N4O6S and a molecular weight of 592.60 g/mol. Its IUPAC name is 2-[3-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10416037
Molecular FormulaC27H27F3N4O6S
Molecular Weight592.60 g/mol
Exact Mass592.16
IUPAC Name2-[3-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)c1
InChIInChI=1S/C27H27F3N4O6S/c1-16(2)24(25(37)27(28,29)30)32-23(36)15-34-22(18-8-5-4-6-9-18)13-12-21(26(34)38)33-41(39,40)20-11-7-10-19(14-20)31-17(3)35/h4-14,16,24,33H,15H2,1-3H3,(H,31,35)(H,32,36)
InChIKeyFZZUHPRSTQGLKU-UHFFFAOYSA-N
XLogP3.55
TPSA143.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.60
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-acetamidophenyl)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-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10416037) is 2-[3-[(3-acetamidophenyl)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-[(3-acetamidophenyl)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-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)c1.
What is the InChIKey of 2-[3-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is FZZUHPRSTQGLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O6S/c1-16(2)24(25(37)27(28,29)30)32-23(36)15-34-22(18-8-5-4-6-9-18)13-12-21(26(34)38)33-41(39,40)20-11-7-10-19(14-20)31-17(3)35/h4-14,16,24,33H,15H2,1-3H3,(H,31,35)(H,32,36).
What are the key properties of 2-[3-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[3-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 592.60 g/mol, XLogP of 3.55, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-acetamidophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10416037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).