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

C20H23F3N4O5S — CID 1636

IUPAC2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=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)
InChIKeyMYFMPKCOIMRDDD-UHFFFAOYSA-N
MW488.49 g/mol
LogP1.66
Rot. Bonds9

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

2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 1636) 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-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID1636
Molecular FormulaC20H23F3N4O5S
Molecular Weight488.49 g/mol
Exact Mass488.13
IUPAC Name2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=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)
InChIKeyMYFMPKCOIMRDDD-UHFFFAOYSA-N
XLogP1.66
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(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-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 1636) is 2-[3-(methylsulfamoylamino)-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-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(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-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(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-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is MYFMPKCOIMRDDD-UHFFFAOYSA-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).
What are the key properties of 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(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-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 1636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).