2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C19H21F3N4O5S — CID 19787881

IUPAC2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NS(C)(=O)=O)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C19H21F3N4O5S/c1-11(2)15(16(28)19(20,21)22)24-14(27)10-26-17(12-7-5-4-6-8-12)23-9-13(18(26)29)25-32(3,30)31/h4-9,11,15,25H,10H2,1-3H3,(H,24,27)
InChIKeyCOVWATXCTXNNBD-UHFFFAOYSA-N
MW474.46 g/mol
LogP1.55
Rot. Bonds8

About 2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 19787881) has the molecular formula C19H21F3N4O5S and a molecular weight of 474.46 g/mol. Its IUPAC name is 2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID19787881
Molecular FormulaC19H21F3N4O5S
Molecular Weight474.46 g/mol
Exact Mass474.12
IUPAC Name2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NS(C)(=O)=O)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C19H21F3N4O5S/c1-11(2)15(16(28)19(20,21)22)24-14(27)10-26-17(12-7-5-4-6-8-12)23-9-13(18(26)29)25-32(3,30)31/h4-9,11,15,25H,10H2,1-3H3,(H,24,27)
InChIKeyCOVWATXCTXNNBD-UHFFFAOYSA-N
XLogP1.55
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 19787881) is 2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NS(C)(=O)=O)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is COVWATXCTXNNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O5S/c1-11(2)15(16(28)19(20,21)22)24-14(27)10-26-17(12-7-5-4-6-8-12)23-9-13(18(26)29)25-32(3,30)31/h4-9,11,15,25H,10H2,1-3H3,(H,24,27).
What are the key properties of 2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 474.46 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methanesulfonamido)-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 19787881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).