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

C24H27N3O4S — CID 67286416

IUPACN-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide
SMILESCOc1c(C=Cc2ccc(NS(C)(=O)=O)cn2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C24H27N3O4S/c1-24(2,3)21-14-17(20-7-6-12-25-23(20)28)13-16(22(21)31-4)8-9-18-10-11-19(15-26-18)27-32(5,29)30/h6-15,27H,1-5H3,(H,25,28)
InChIKeyCTJCXRFNFNGSJZ-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.28
Rot. Bonds6

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

N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide (PubChem CID 67286416) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide
PubChem CID67286416
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide
SMILESCOc1c(C=Cc2ccc(NS(C)(=O)=O)cn2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C24H27N3O4S/c1-24(2,3)21-14-17(20-7-6-12-25-23(20)28)13-16(22(21)31-4)8-9-18-10-11-19(15-26-18)27-32(5,29)30/h6-15,27H,1-5H3,(H,25,28)
InChIKeyCTJCXRFNFNGSJZ-UHFFFAOYSA-N
XLogP4.28
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide (CID 67286416) is N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide is COc1c(C=Cc2ccc(NS(C)(=O)=O)cn2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide?
The InChIKey is CTJCXRFNFNGSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-24(2,3)21-14-17(20-7-6-12-25-23(20)28)13-16(22(21)31-4)8-9-18-10-11-19(15-26-18)27-32(5,29)30/h6-15,27H,1-5H3,(H,25,28).
What are the key properties of N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide?
N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide has a molecular weight of 453.56 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 67286416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).