N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide

C22H25FN4O6S3 — CID 135936702

IUPACN-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide
SMILESCCCC1CC(O)=C(C2=NS(=O)(=O)c3c(CNS(C)(=O)=O)csc3N2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C22H25FN4O6S3/c1-3-4-16-9-17(28)18(22(29)27(16)11-13-5-7-15(23)8-6-13)20-25-21-19(36(32,33)26-20)14(12-34-21)10-24-35(2,30)31/h5-8,12,16,24,28H,3-4,9-11H2,1-2H3,(H,25,26)
InChIKeyWBCWGLATKRUJER-UHFFFAOYSA-N
MW556.66 g/mol
LogP2.86
Rot. Bonds8

About N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide

N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide (PubChem CID 135936702) has the molecular formula C22H25FN4O6S3 and a molecular weight of 556.66 g/mol. Its IUPAC name is N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide
PubChem CID135936702
Molecular FormulaC22H25FN4O6S3
Molecular Weight556.66 g/mol
Exact Mass556.09
IUPAC NameN-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide
SMILESCCCC1CC(O)=C(C2=NS(=O)(=O)c3c(CNS(C)(=O)=O)csc3N2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C22H25FN4O6S3/c1-3-4-16-9-17(28)18(22(29)27(16)11-13-5-7-15(23)8-6-13)20-25-21-19(36(32,33)26-20)14(12-34-21)10-24-35(2,30)31/h5-8,12,16,24,28H,3-4,9-11H2,1-2H3,(H,25,26)
InChIKeyWBCWGLATKRUJER-UHFFFAOYSA-N
XLogP2.86
TPSA145.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.66
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]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-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide (CID 135936702) is N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide is CCCC1CC(O)=C(C2=NS(=O)(=O)c3c(CNS(C)(=O)=O)csc3N2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide?
The InChIKey is WBCWGLATKRUJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O6S3/c1-3-4-16-9-17(28)18(22(29)27(16)11-13-5-7-15(23)8-6-13)20-25-21-19(36(32,33)26-20)14(12-34-21)10-24-35(2,30)31/h5-8,12,16,24,28H,3-4,9-11H2,1-2H3,(H,25,26).
What are the key properties of N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide?
N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide has a molecular weight of 556.66 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2-propyl-2,3-dihydropyridin-5-yl]-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 135936702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).