N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide

C23H27N3O4S — CID 67070024

IUPACN-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide
SMILESCC(C)(C)c1cc(CCc2ccc(NS(C)(=O)=O)cn2)c(O)c(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C23H27N3O4S/c1-23(2,3)16-12-15(21(27)20(13-16)19-6-5-11-24-22(19)28)7-8-17-9-10-18(14-25-17)26-31(4,29)30/h5-6,9-14,26-27H,7-8H2,1-4H3,(H,24,28)
InChIKeyQICSDJQBGXFRCX-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.60
Rot. Bonds6

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

N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide (PubChem CID 67070024) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide
PubChem CID67070024
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide
SMILESCC(C)(C)c1cc(CCc2ccc(NS(C)(=O)=O)cn2)c(O)c(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C23H27N3O4S/c1-23(2,3)16-12-15(21(27)20(13-16)19-6-5-11-24-22(19)28)7-8-17-9-10-18(14-25-17)26-31(4,29)30/h5-6,9-14,26-27H,7-8H2,1-4H3,(H,24,28)
InChIKeyQICSDJQBGXFRCX-UHFFFAOYSA-N
XLogP3.60
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide (CID 67070024) is N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide is CC(C)(C)c1cc(CCc2ccc(NS(C)(=O)=O)cn2)c(O)c(-c2ccc[nH]c2=O)c1.
What is the InChIKey of N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide?
The InChIKey is QICSDJQBGXFRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-23(2,3)16-12-15(21(27)20(13-16)19-6-5-11-24-22(19)28)7-8-17-9-10-18(14-25-17)26-31(4,29)30/h5-6,9-14,26-27H,7-8H2,1-4H3,(H,24,28).
What are the key properties of N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide?
N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 67070024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).