N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide

C26H29N3O5S — CID 86577792

IUPACN-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide
SMILESCOc1c(C(C)(C)C)cc(C2CCC(=O)NC2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12
InChIInChI=1S/C26H29N3O5S/c1-26(2,3)21-13-19(18-10-11-22(30)28-25(18)31)23-20(24(21)34-4)12-16(14-27-23)15-6-8-17(9-7-15)29-35(5,32)33/h6-9,12-14,18,29H,10-11H2,1-5H3,(H,28,30,31)
InChIKeySSHYNCLOLZIZEF-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.10
Rot. Bonds5

About N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide

N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide (PubChem CID 86577792) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide
PubChem CID86577792
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide
SMILESCOc1c(C(C)(C)C)cc(C2CCC(=O)NC2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12
InChIInChI=1S/C26H29N3O5S/c1-26(2,3)21-13-19(18-10-11-22(30)28-25(18)31)23-20(24(21)34-4)12-16(14-27-23)15-6-8-17(9-7-15)29-35(5,32)33/h6-9,12-14,18,29H,10-11H2,1-5H3,(H,28,30,31)
InChIKeySSHYNCLOLZIZEF-UHFFFAOYSA-N
XLogP4.10
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-({(3s)-1-[6-Tert-Butyl-5-Methoxy-8-(2-Oxo-1,2-Dihydropyridin-3-Yl)quinolin-3-Yl]pyrrolidin-3-Yl}methyl)methanesulfonamide
CID 49806783
N-(4-(6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl)phenyl)methanesulfonamide
CID 49835560
N-[[(3S)-1-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 67414050
N-[[1-[6-tert-butyl-5-methoxy-8-(2-oxo-1H-pyridin-3-yl)-3-quinolyl]azetidin-3-yl]methyl]methanesulfonamide
CID 49835307
N-[4-[6-tert-butyl-5-methoxy-8-(2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide
CID 49835364
N-[4-[6-tert-butyl-8-(5-fluoro-2-oxo-1H-pyridin-3-yl)-5-methoxy-3-quinolyl]phenyl]methanesulfonamide
CID 49835367
N-[4-[6-tert-butyl-5-methoxy-8-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide
CID 49835368
HCV replication inhibitor
CID 49835419
N-[4-[6-tert-butyl-5-methoxy-8-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolyl]but-3-ynyl]methanesulfonamide
CID 49835666
7-methoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
CID 58255581
N-[4-[6-tert-butyl-5-methoxy-8-(1-methyl-2,4-dioxo-pyrimidin-5-yl)-3-quinolyl]phenyl]methanesulfonamide
CID 67127255
N-[4-[6-tert-butyl-5-methoxy-8-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolyl]butyl]methanesulfonamide
CID 67127509

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide (CID 86577792) is N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide is COc1c(C(C)(C)C)cc(C2CCC(=O)NC2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12.
What is the InChIKey of N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide?
The InChIKey is SSHYNCLOLZIZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-26(2,3)21-13-19(18-10-11-22(30)28-25(18)31)23-20(24(21)34-4)12-16(14-27-23)15-6-8-17(9-7-15)29-35(5,32)33/h6-9,12-14,18,29H,10-11H2,1-5H3,(H,28,30,31).
What are the key properties of N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide?
N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide has a molecular weight of 495.60 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-tert-butyl-8-(2,6-dioxopiperidin-3-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 86577792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).