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

C20H23F3N4O5S — CID 5289460

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

2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide (PubChem CID 5289460) has the molecular formula C20H23F3N4O5S and a molecular weight of 488.49 g/mol. Its IUPAC name is 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide
• PubChem CID: 5289460
• Molecular Formula: C20H23F3N4O5S
• Molecular Weight: 488.49 g/mol
• Exact Mass: 488.13
• IUPAC Name: 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide
• SMILES: CNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1=O
• InChI: InChI=1S/C20H23F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17,24,26H,11H2,1-3H3,(H,25,28)/t17-/m0/s1
• InChIKey: MYFMPKCOIMRDDD-KRWDZBQOSA-N
• XLogP: 1.66
• TPSA: 126.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.49
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide?

The IUPAC name of 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide (CID 5289460) is 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide.

What is the SMILES notation for 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide?

The canonical SMILES for 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide is CNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1=O.

What is the InChIKey of 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide?

The InChIKey is MYFMPKCOIMRDDD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17,24,26H,11H2,1-3H3,(H,25,28)/t17-/m0/s1.

What are the key properties of 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide?

2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide has a molecular weight of 488.49 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide is sourced from PubChem (CID 5289460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).