2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide

C19H16FN3O3S — CID 45273794

IUPAC2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(CC(N)=O)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O3S/c1-27(25,26)15-8-4-12(5-9-15)16-11-22-18(10-17(21)24)23-19(16)13-2-6-14(20)7-3-13/h2-9,11H,10H2,1H3,(H2,21,24)
InChIKeyVURZHOAEBGBNSL-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.38
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide

2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide (PubChem CID 45273794) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide
PubChem CID45273794
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(CC(N)=O)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O3S/c1-27(25,26)15-8-4-12(5-9-15)16-11-22-18(10-17(21)24)23-19(16)13-2-6-14(20)7-3-13/h2-9,11H,10H2,1H3,(H2,21,24)
InChIKeyVURZHOAEBGBNSL-UHFFFAOYSA-N
XLogP2.38
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-({4-[(E)-2-phenylethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]propanamide
CID 5929378
2-(3-fluorophenyl)-4-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16665941
3-(2-Methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
5-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridyl]pyrimidin-2-amine
CID 53311397
2-(4-methylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1214402
N-{4-[({4-[2-(2-fluorophenyl)vinyl]-2-pyrimidinyl}amino)sulfonyl]phenyl}acetamide
CID 5730682
N-benzyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 11429689
2-({4-Amino-5-[4-(propan-2-YL)benzenesulfonyl]pyrimidin-2-YL}sulfanyl)-N-phenylpropanamide
CID 16021305
2-(4-methylsulfonylphenyl)-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 44456545
N-[(4-fluorophenyl)methyl]-5-methyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 44456615
5-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 44456616
N-benzyl-5-methyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 44456687

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide (CID 45273794) is 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide is CS(=O)(=O)c1ccc(-c2cnc(CC(N)=O)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide?
The InChIKey is VURZHOAEBGBNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-27(25,26)15-8-4-12(5-9-15)16-11-22-18(10-17(21)24)23-19(16)13-2-6-14(20)7-3-13/h2-9,11H,10H2,1H3,(H2,21,24).
What are the key properties of 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide?
2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 45273794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).