2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide

C24H26F2N2O6S — CID 152639167

IUPAC2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2C(F)C(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)ccn1
InChIInChI=1S/C24H26F2N2O6S/c1-13(2)17-10-16(25)11-18(14-6-7-27-19(8-14)33-5)21(17)22(26)23(29)28-35(31,32)20-9-15(12-34-20)24(3,4)30/h6-13,22,30H,1-5H3,(H,28,29)
InChIKeyZFEKVLVLRGDMQG-UHFFFAOYSA-N
MW508.54 g/mol
LogP4.36
Rot. Bonds8

About 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide

2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide (PubChem CID 152639167) has the molecular formula C24H26F2N2O6S and a molecular weight of 508.54 g/mol. Its IUPAC name is 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide.

Molecular Properties

Compound Name2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide
PubChem CID152639167
Molecular FormulaC24H26F2N2O6S
Molecular Weight508.54 g/mol
Exact Mass508.15
IUPAC Name2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2C(F)C(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)ccn1
InChIInChI=1S/C24H26F2N2O6S/c1-13(2)17-10-16(25)11-18(14-6-7-27-19(8-14)33-5)21(17)22(26)23(29)28-35(31,32)20-9-15(12-34-20)24(3,4)30/h6-13,22,30H,1-5H3,(H,28,29)
InChIKeyZFEKVLVLRGDMQG-UHFFFAOYSA-N
XLogP4.36
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide?
The IUPAC name of 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide (CID 152639167) is 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide.
What is the SMILES notation for 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide?
The canonical SMILES for 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide is COc1cc(-c2cc(F)cc(C(C)C)c2C(F)C(=O)NS(=O)(=O)c2cc(C(C)(C)O)co2)ccn1.
What is the InChIKey of 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide?
The InChIKey is ZFEKVLVLRGDMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O6S/c1-13(2)17-10-16(25)11-18(14-6-7-27-19(8-14)33-5)21(17)22(26)23(29)28-35(31,32)20-9-15(12-34-20)24(3,4)30/h6-13,22,30H,1-5H3,(H,28,29).
What are the key properties of 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide?
2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide has a molecular weight of 508.54 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylacetamide is sourced from PubChem (CID 152639167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).