2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide

C21H17FN4O4S — CID 122192259

IUPAC2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C#N)cc(C)c1Oc1ccnc(S(=O)(=O)CC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C21H17FN4O4S/c1-13-9-15(11-23)10-14(2)20(13)30-19-7-8-24-21(26-19)31(28,29)12-18(27)25-17-6-4-3-5-16(17)22/h3-10H,12H2,1-2H3,(H,25,27)
InChIKeyOWICKKHTFKBPIO-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.31
Rot. Bonds6

About 2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide

2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide (PubChem CID 122192259) has the molecular formula C21H17FN4O4S and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide
PubChem CID122192259
Molecular FormulaC21H17FN4O4S
Molecular Weight440.46 g/mol
Exact Mass440.10
IUPAC Name2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C#N)cc(C)c1Oc1ccnc(S(=O)(=O)CC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C21H17FN4O4S/c1-13-9-15(11-23)10-14(2)20(13)30-19-7-8-24-21(26-19)31(28,29)12-18(27)25-17-6-4-3-5-16(17)22/h3-10H,12H2,1-2H3,(H,25,27)
InChIKeyOWICKKHTFKBPIO-UHFFFAOYSA-N
XLogP3.31
TPSA122.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(3,4-dichlorophenyl)acetamide
CID 122191133
N-(4-chlorophenyl)-2-[4-[4-(4-cyanophenyl)-2,6-dimethylphenoxy]pyrimidin-2-yl]sulfonylacetamide
CID 155925044
N-[2-(4-bromophenyl)ethyl]-2-[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]pyrimidin-2-yl]sulfonylacetamide
CID 155924571
2-(4-cyano-2-fluorophenoxy)-N-(2-fluorophenyl)acetamide
CID 103793510
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide
CID 65471325
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 24630972
N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169576
4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 80876672
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 47475886
methyl 2-chloro-6-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carboxylate
CID 58974943
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide (CID 122192259) is 2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide is Cc1cc(C#N)cc(C)c1Oc1ccnc(S(=O)(=O)CC(=O)Nc2ccccc2F)n1.
What is the InChIKey of 2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide?
The InChIKey is OWICKKHTFKBPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4S/c1-13-9-15(11-23)10-14(2)20(13)30-19-7-8-24-21(26-19)31(28,29)12-18(27)25-17-6-4-3-5-16(17)22/h3-10H,12H2,1-2H3,(H,25,27).
What are the key properties of 2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide?
2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide has a molecular weight of 440.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]sulfonyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 122192259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).