6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen

C31H36FN3O5S — CID 159354716

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 159354716) has the molecular formula C31H36FN3O5S and a molecular weight of 581.71 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 159354716
• Molecular Formula: C31H36FN3O5S
• Molecular Weight: 581.71 g/mol
• Exact Mass: 581.24
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OC(C)c2ccccc2C)n1.[H][H].[H][H]
• InChI: InChI=1S/C31H32FN3O5S.2H2/c1-19(2)18-39-25-16-23(15-24(32)17-25)28-14-13-27(30(36)35-41(37,38)29-12-8-10-21(4)33-29)31(34-28)40-22(5)26-11-7-6-9-20(26)3;;/h6-17,19,22H,18H2,1-5H3,(H,35,36);2*1H
• InChIKey: LHTWLSSLLYEUSB-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 107.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.71
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen (CID 159354716) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OC(C)c2ccccc2C)n1.[H][H].[H][H].

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is LHTWLSSLLYEUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN3O5S.2H2/c1-19(2)18-39-25-16-23(15-24(32)17-25)28-14-13-27(30(36)35-41(37,38)29-12-8-10-21(4)33-29)31(34-28)40-22(5)26-11-7-6-9-20(26)3;;/h6-17,19,22H,18H2,1-5H3,(H,35,36);2*1H.

What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen?

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 581.71 g/mol, XLogP of 6.69, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[1-(2-methylphenyl)ethoxy]-N-[(6-methyl-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 159354716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).