N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide

C26H32N2O4S — CID 67070117

IUPACN-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide
SMILESCOc1c(CCc2ccc(NS(C)(=O)=O)c(C)c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C26H32N2O4S/c1-17-14-18(10-12-23(17)28-33(6,30)31)9-11-19-15-20(21-8-7-13-27-25(21)29)16-22(24(19)32-5)26(2,3)4/h7-8,10,12-16,28H,9,11H2,1-6H3,(H,27,29)
InChIKeyCRANTBMOXHNXIG-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.81
Rot. Bonds7

About N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide

N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide (PubChem CID 67070117) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide
PubChem CID67070117
Molecular FormulaC26H32N2O4S
Molecular Weight468.62 g/mol
Exact Mass468.21
IUPAC NameN-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide
SMILESCOc1c(CCc2ccc(NS(C)(=O)=O)c(C)c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C26H32N2O4S/c1-17-14-18(10-12-23(17)28-33(6,30)31)9-11-19-15-20(21-8-7-13-27-25(21)29)16-22(24(19)32-5)26(2,3)4/h7-8,10,12-16,28H,9,11H2,1-6H3,(H,27,29)
InChIKeyCRANTBMOXHNXIG-UHFFFAOYSA-N
XLogP4.81
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide (CID 67070117) is N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide is COc1c(CCc2ccc(NS(C)(=O)=O)c(C)c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide?
The InChIKey is CRANTBMOXHNXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S/c1-17-14-18(10-12-23(17)28-33(6,30)31)9-11-19-15-20(21-8-7-13-27-25(21)29)16-22(24(19)32-5)26(2,3)4/h7-8,10,12-16,28H,9,11H2,1-6H3,(H,27,29).
What are the key properties of N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide?
N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide has a molecular weight of 468.62 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 67070117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).