N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide

C25H26N4O5S — CID 50789431

IUPACN-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC
InChIInChI=1S/C25H26N4O5S/c1-5-28(16-19-9-7-6-8-10-19)35(31,32)23-15-20(11-13-22(23)33-4)21-12-14-24(30)29(26-21)25-17(2)27-34-18(25)3/h6-15H,5,16H2,1-4H3
InChIKeySHJOGSUIAWQHNB-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.72
Rot. Bonds8

About N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide

N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide (PubChem CID 50789431) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide
PubChem CID50789431
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC NameN-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC
InChIInChI=1S/C25H26N4O5S/c1-5-28(16-19-9-7-6-8-10-19)35(31,32)23-15-20(11-13-22(23)33-4)21-12-14-24(30)29(26-21)25-17(2)27-34-18(25)3/h6-15H,5,16H2,1-4H3
InChIKeySHJOGSUIAWQHNB-UHFFFAOYSA-N
XLogP3.72
TPSA107.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide (CID 50789431) is N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC.
What is the InChIKey of N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is SHJOGSUIAWQHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-5-28(16-19-9-7-6-8-10-19)35(31,32)23-15-20(11-13-22(23)33-4)21-12-14-24(30)29(26-21)25-17(2)27-34-18(25)3/h6-15H,5,16H2,1-4H3.
What are the key properties of N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide?
N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 494.57 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 50789431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).