6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C30H30FN3O5S — CID 131989349

IUPAC6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cc(OCC(C)C)ccc3F)ccc2C(=O)NS(=O)(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C30H30FN3O5S/c1-18(2)17-38-22-9-11-25(31)24(16-22)26-12-10-23(29(35)34-40(36,37)27-8-6-7-13-32-27)30(33-26)39-28-20(4)14-19(3)15-21(28)5/h6-16,18H,17H2,1-5H3,(H,34,35)
InChIKeyUAKMRBIFAKJQGO-UHFFFAOYSA-N
MW563.65 g/mol
LogP6.15
Rot. Bonds9

About 6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 131989349) has the molecular formula C30H30FN3O5S and a molecular weight of 563.65 g/mol. Its IUPAC name is 6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID131989349
Molecular FormulaC30H30FN3O5S
Molecular Weight563.65 g/mol
Exact Mass563.19
IUPAC Name6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cc(OCC(C)C)ccc3F)ccc2C(=O)NS(=O)(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C30H30FN3O5S/c1-18(2)17-38-22-9-11-25(31)24(16-22)26-12-10-23(29(35)34-40(36,37)27-8-6-7-13-32-27)30(33-26)39-28-20(4)14-19(3)15-21(28)5/h6-16,18H,17H2,1-5H3,(H,34,35)
InChIKeyUAKMRBIFAKJQGO-UHFFFAOYSA-N
XLogP6.15
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.65
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 131989349) is 6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3cc(OCC(C)C)ccc3F)ccc2C(=O)NS(=O)(=O)c2ccccn2)c(C)c1.
What is the InChIKey of 6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is UAKMRBIFAKJQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O5S/c1-18(2)17-38-22-9-11-25(31)24(16-22)26-12-10-23(29(35)34-40(36,37)27-8-6-7-13-32-27)30(33-26)39-28-20(4)14-19(3)15-21(28)5/h6-16,18H,17H2,1-5H3,(H,34,35).
What are the key properties of 6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 563.65 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-5-(2-methylpropoxy)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 131989349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).