5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide

C23H29N5O5S — CID 97044348

IUPAC5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC
InChIInChI=1S/C23H29N5O5S/c1-5-27-12-6-7-18(27)14-24-34(30,31)21-13-17(8-10-20(21)32-4)19-9-11-22(29)28(25-19)23-15(2)26-33-16(23)3/h8-11,13,18,24H,5-7,12,14H2,1-4H3/t18-/m1/s1
InChIKeyLIEKDPZXPBHOIT-GOSISDBHSA-N
MW487.58 g/mol
LogP2.28
Rot. Bonds8

About 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide

5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 97044348) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide
PubChem CID97044348
Molecular FormulaC23H29N5O5S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC
InChIInChI=1S/C23H29N5O5S/c1-5-27-12-6-7-18(27)14-24-34(30,31)21-13-17(8-10-20(21)32-4)19-9-11-22(29)28(25-19)23-15(2)26-33-16(23)3/h8-11,13,18,24H,5-7,12,14H2,1-4H3/t18-/m1/s1
InChIKeyLIEKDPZXPBHOIT-GOSISDBHSA-N
XLogP2.28
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide 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 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide (CID 97044348) is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide is CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC.
What is the InChIKey of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is LIEKDPZXPBHOIT-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N5O5S/c1-5-27-12-6-7-18(27)14-24-34(30,31)21-13-17(8-10-20(21)32-4)19-9-11-22(29)28(25-19)23-15(2)26-33-16(23)3/h8-11,13,18,24H,5-7,12,14H2,1-4H3/t18-/m1/s1.
What are the key properties of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide?
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 487.58 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 97044348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).