2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide

C27H25FN2O4S — CID 148922315

IUPAC2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc3ccccc3c2)ccn1
InChIInChI=1S/C27H25FN2O4S/c1-17(2)23-14-21(28)15-24(20-10-11-29-27(13-20)34-3)25(23)16-26(31)30-35(32,33)22-9-8-18-6-4-5-7-19(18)12-22/h4-15,17H,16H2,1-3H3,(H,30,31)
InChIKeyPKHTTWPOIYZWQC-UHFFFAOYSA-N
MW492.57 g/mol
LogP5.22
Rot. Bonds7

About 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide

2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide (PubChem CID 148922315) has the molecular formula C27H25FN2O4S and a molecular weight of 492.57 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide
PubChem CID148922315
Molecular FormulaC27H25FN2O4S
Molecular Weight492.57 g/mol
Exact Mass492.15
IUPAC Name2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc3ccccc3c2)ccn1
InChIInChI=1S/C27H25FN2O4S/c1-17(2)23-14-21(28)15-24(20-10-11-29-27(13-20)34-3)25(23)16-26(31)30-35(32,33)22-9-8-18-6-4-5-7-19(18)12-22/h4-15,17H,16H2,1-3H3,(H,30,31)
InChIKeyPKHTTWPOIYZWQC-UHFFFAOYSA-N
XLogP5.22
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide (CID 148922315) is 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc3ccccc3c2)ccn1.
What is the InChIKey of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide?
The InChIKey is PKHTTWPOIYZWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O4S/c1-17(2)23-14-21(28)15-24(20-10-11-29-27(13-20)34-3)25(23)16-26(31)30-35(32,33)22-9-8-18-6-4-5-7-19(18)12-22/h4-15,17H,16H2,1-3H3,(H,30,31).
What are the key properties of 2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide?
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-naphthalen-2-ylsulfonylacetamide has a molecular weight of 492.57 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 148922315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).