N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C26H27F3N2O4S — CID 155463730

IUPACN-(2,4-difluoro-5-propan-2-ylphenyl)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)c2cc(C(C)C)c(F)cc2F)ccn1
InChIInChI=1S/C26H27F3N2O4S/c1-14(2)18-9-17(27)10-20(16-6-7-30-26(8-16)35-5)21(18)12-25(32)31-36(33,34)24-11-19(15(3)4)22(28)13-23(24)29/h6-11,13-15H,12H2,1-5H3,(H,31,32)
InChIKeyYNHFAVKSQLCWDO-UHFFFAOYSA-N
MW520.57 g/mol
LogP5.47
Rot. Bonds8

About N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155463730) has the molecular formula C26H27F3N2O4S and a molecular weight of 520.57 g/mol. Its IUPAC name is N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155463730
Molecular FormulaC26H27F3N2O4S
Molecular Weight520.57 g/mol
Exact Mass520.16
IUPAC NameN-(2,4-difluoro-5-propan-2-ylphenyl)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)c2cc(C(C)C)c(F)cc2F)ccn1
InChIInChI=1S/C26H27F3N2O4S/c1-14(2)18-9-17(27)10-20(16-6-7-30-26(8-16)35-5)21(18)12-25(32)31-36(33,34)24-11-19(15(3)4)22(28)13-23(24)29/h6-11,13-15H,12H2,1-5H3,(H,31,32)
InChIKeyYNHFAVKSQLCWDO-UHFFFAOYSA-N
XLogP5.47
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155463730) is N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-(2,4-difluoro-5-propan-2-ylphenyl)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)c2cc(C(C)C)c(F)cc2F)ccn1.
What is the InChIKey of N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is YNHFAVKSQLCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O4S/c1-14(2)18-9-17(27)10-20(16-6-7-30-26(8-16)35-5)21(18)12-25(32)31-36(33,34)24-11-19(15(3)4)22(28)13-23(24)29/h6-11,13-15H,12H2,1-5H3,(H,31,32).
What are the key properties of N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 520.57 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155463730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).