N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide

C27H28N2O4S — CID 46932283

About N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide

N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide (PubChem CID 46932283) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide
• PubChem CID: 46932283
• Molecular Formula: C27H28N2O4S
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.18
• IUPAC Name: N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide
• SMILES: COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
• InChI: InChI=1S/C27H28N2O4S/c1-27(2,3)24-16-20(22-7-6-12-28-26(22)30)15-23(25(24)33-4)19-9-8-18-14-21(29-34(5,31)32)11-10-17(18)13-19/h6-16,29H,1-5H3,(H,28,30)
• InChIKey: OACQEPRDHPHGOD-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 88.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide?

The IUPAC name of N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide (CID 46932283) is N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide.

What is the SMILES notation for N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide?

The canonical SMILES for N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide is COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C.

What is the InChIKey of N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide?

The InChIKey is OACQEPRDHPHGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-27(2,3)24-16-20(22-7-6-12-28-26(22)30)15-23(25(24)33-4)19-9-8-18-14-21(29-34(5,31)32)11-10-17(18)13-19/h6-16,29H,1-5H3,(H,28,30).

What are the key properties of N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide?

N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 476.60 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 46932283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).