N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C23H25FN4O4S — CID 155464145

IUPACN-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2nc(C)cc(C)n2)ccn1
InChIInChI=1S/C23H25FN4O4S/c1-13(2)18-10-17(24)11-19(16-6-7-25-22(9-16)32-5)20(18)12-21(29)28-33(30,31)23-26-14(3)8-15(4)27-23/h6-11,13H,12H2,1-5H3,(H,28,29)
InChIKeyWUDBJHDRZUIKLA-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.47
Rot. Bonds7

About N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155464145) has the molecular formula C23H25FN4O4S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155464145
Molecular FormulaC23H25FN4O4S
Molecular Weight472.54 g/mol
Exact Mass472.16
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2nc(C)cc(C)n2)ccn1
InChIInChI=1S/C23H25FN4O4S/c1-13(2)18-10-17(24)11-19(16-6-7-25-22(9-16)32-5)20(18)12-21(29)28-33(30,31)23-26-14(3)8-15(4)27-23/h6-11,13H,12H2,1-5H3,(H,28,29)
InChIKeyWUDBJHDRZUIKLA-UHFFFAOYSA-N
XLogP3.47
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]sulfamate
CID 46206803
2-(2-(2-(2-((6-Methoxypyridin-3-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)propanamide
CID 73295464
1-(2-(2-(2-((6-Methoxypyridin-3-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide
CID 73295466
[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]sulfamate
CID 46201907
US11530200, Example 21
CID 155463881
US11530200, Example 3
CID 155464180
N-[(tert-butylamino)sulfonyl]-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 23161090
N-(aminosulfonyl)-4-(3-methoxyphenyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 23161099
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(4-methyl-3-pyridinyl)acetamide
CID 59509031
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide
CID 59509080
4-(4-Fluorophenyl)-5-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
CID 69905896
4-fluoro-3-methoxy-N-methyl-5-(2-(2-((2-methylpyridin-4-yl)amino)pyrimidin-5-yl)ethyl)benzamide
CID 85469034

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155464145) is N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2nc(C)cc(C)n2)ccn1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is WUDBJHDRZUIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S/c1-13(2)18-10-17(24)11-19(16-6-7-25-22(9-16)32-5)20(18)12-21(29)28-33(30,31)23-26-14(3)8-15(4)27-23/h6-11,13H,12H2,1-5H3,(H,28,29).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 472.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155464145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).