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

C24H26N2O5S — CID 44624773

IUPACN-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide
SMILESCOc1c(C(=O)c2cccc(NS(C)(=O)=O)c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C24H26N2O5S/c1-24(2,3)20-14-16(18-10-7-11-25-23(18)28)13-19(22(20)31-4)21(27)15-8-6-9-17(12-15)26-32(5,29)30/h6-14,26H,1-5H3,(H,25,28)
InChIKeyNGDLRJJSBKWAQA-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.95
Rot. Bonds6

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

N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide (PubChem CID 44624773) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide
PubChem CID44624773
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide
SMILESCOc1c(C(=O)c2cccc(NS(C)(=O)=O)c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C24H26N2O5S/c1-24(2,3)20-14-16(18-10-7-11-25-23(18)28)13-19(22(20)31-4)21(27)15-8-6-9-17(12-15)26-32(5,29)30/h6-14,26H,1-5H3,(H,25,28)
InChIKeyNGDLRJJSBKWAQA-UHFFFAOYSA-N
XLogP3.95
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide (CID 44624773) is N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide is COc1c(C(=O)c2cccc(NS(C)(=O)=O)c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide?
The InChIKey is NGDLRJJSBKWAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-24(2,3)20-14-16(18-10-7-11-25-23(18)28)13-19(22(20)31-4)21(27)15-8-6-9-17(12-15)26-32(5,29)30/h6-14,26H,1-5H3,(H,25,28).
What are the key properties of N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide?
N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide has a molecular weight of 454.55 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)benzoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 44624773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).