2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide

C23H27FN4O6S — CID 155421048

IUPAC2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C2=CN(C)C(=O)N(C)C2O)ccn1
InChIInChI=1S/C23H27FN4O6S/c1-13(2)16-9-15(24)10-17(14-6-7-25-21(8-14)34-5)18(16)11-20(29)26-35(32,33)19-12-27(3)23(31)28(4)22(19)30/h6-10,12-13,22,30H,11H2,1-5H3,(H,26,29)
InChIKeyBASNYJJCPDBTBN-UHFFFAOYSA-N
MW506.56 g/mol
LogP2.17
Rot. Bonds7

About 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide

2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide (PubChem CID 155421048) has the molecular formula C23H27FN4O6S and a molecular weight of 506.56 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide
PubChem CID155421048
Molecular FormulaC23H27FN4O6S
Molecular Weight506.56 g/mol
Exact Mass506.16
IUPAC Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C2=CN(C)C(=O)N(C)C2O)ccn1
InChIInChI=1S/C23H27FN4O6S/c1-13(2)16-9-15(24)10-17(14-6-7-25-21(8-14)34-5)18(16)11-20(29)26-35(32,33)19-12-27(3)23(31)28(4)22(19)30/h6-10,12-13,22,30H,11H2,1-5H3,(H,26,29)
InChIKeyBASNYJJCPDBTBN-UHFFFAOYSA-N
XLogP2.17
TPSA129.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide?
The IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide (CID 155421048) is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide?
The canonical SMILES for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C2=CN(C)C(=O)N(C)C2O)ccn1.
What is the InChIKey of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide?
The InChIKey is BASNYJJCPDBTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O6S/c1-13(2)16-9-15(24)10-17(14-6-7-25-21(8-14)34-5)18(16)11-20(29)26-35(32,33)19-12-27(3)23(31)28(4)22(19)30/h6-10,12-13,22,30H,11H2,1-5H3,(H,26,29).
What are the key properties of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide?
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide has a molecular weight of 506.56 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide is sourced from PubChem (CID 155421048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).