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

C20H25N5O5S — CID 83273930

IUPACN-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C20H25N5O5S/c1-13-20(14(2)30-23-13)25-19(26)9-7-16(22-25)15-6-8-17(29-5)18(12-15)31(27,28)21-10-11-24(3)4/h6-9,12,21H,10-11H2,1-5H3
InChIKeyVDOQYZYDRJRHJQ-UHFFFAOYSA-N
MW447.52 g/mol
LogP1.35
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide (PubChem CID 83273930) has the molecular formula C20H25N5O5S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
PubChem CID83273930
Molecular FormulaC20H25N5O5S
Molecular Weight447.52 g/mol
Exact Mass447.16
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C20H25N5O5S/c1-13-20(14(2)30-23-13)25-19(26)9-7-16(22-25)15-6-8-17(29-5)18(12-15)31(27,28)21-10-11-24(3)4/h6-9,12,21H,10-11H2,1-5H3
InChIKeyVDOQYZYDRJRHJQ-UHFFFAOYSA-N
XLogP1.35
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide (CID 83273930) is N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide is COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
The InChIKey is VDOQYZYDRJRHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S/c1-13-20(14(2)30-23-13)25-19(26)9-7-16(22-25)15-6-8-17(29-5)18(12-15)31(27,28)21-10-11-24(3)4/h6-9,12,21H,10-11H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide has a molecular weight of 447.52 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 83273930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).