2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide

C20H17F2N3O4S — CID 24961241

IUPAC2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide
SMILESCC(Oc1ccc(F)cc1F)(C(=O)Nc1ncccn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H17F2N3O4S/c1-20(18(26)25-19-23-10-3-11-24-19,29-17-9-6-14(21)12-16(17)22)13-4-7-15(8-5-13)30(2,27)28/h3-12H,1-2H3,(H,23,24,25,26)
InChIKeyVCXKTRKSVHHZHJ-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.09
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide

2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide (PubChem CID 24961241) has the molecular formula C20H17F2N3O4S and a molecular weight of 433.44 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide
PubChem CID24961241
Molecular FormulaC20H17F2N3O4S
Molecular Weight433.44 g/mol
Exact Mass433.09
IUPAC Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide
SMILESCC(Oc1ccc(F)cc1F)(C(=O)Nc1ncccn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H17F2N3O4S/c1-20(18(26)25-19-23-10-3-11-24-19,29-17-9-6-14(21)12-16(17)22)13-4-7-15(8-5-13)30(2,27)28/h3-12H,1-2H3,(H,23,24,25,26)
InChIKeyVCXKTRKSVHHZHJ-UHFFFAOYSA-N
XLogP3.09
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide
CID 25262589
6-[[2-(2,4-Difluorophenoxy)-2-(4-methylsulfonylphenyl)propanoyl]amino]pyridine-3-carboxylic acid
CID 59363818
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 59363832
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide
CID 67485916
2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide
CID 67486057
Tert-butyl 2-[[6-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-3-pyridinyl]oxy]-2-methylpropanoate
CID 68191132
2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]pyridin-2-yl]acetamide
CID 71505128
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
CID 141213240
N-(2-(2-fluorophenoxy)pyrimidin-5-yl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 122303016
1-[4-(2-Aminopyrimidin-4-yl)oxyphenyl]-3-(3-methylsulfonylphenyl)propan-2-one
CID 58272577
2-(4-(isopropylsulfonyl)phenyl)-N-(2-phenoxypyrimidin-5-yl)acetamide
CID 122302378
4-(4-oxo-5-phenoxy-2-sulfanylidenepentyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 162300958

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide (CID 24961241) is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide is CC(Oc1ccc(F)cc1F)(C(=O)Nc1ncccn1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide?
The InChIKey is VCXKTRKSVHHZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O4S/c1-20(18(26)25-19-23-10-3-11-24-19,29-17-9-6-14(21)12-16(17)22)13-4-7-15(8-5-13)30(2,27)28/h3-12H,1-2H3,(H,23,24,25,26).
What are the key properties of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide?
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide has a molecular weight of 433.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 24961241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).