5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide

C23H22N4O5S — CID 67669197

IUPAC5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide
SMILESCOc1cc(OC)nc(-c2ccc(-c3ccccc3)c(S(=O)(=O)Nc3onc(C)c3C)c2)n1
InChIInChI=1S/C23H22N4O5S/c1-14-15(2)26-32-23(14)27-33(28,29)19-12-17(10-11-18(19)16-8-6-5-7-9-16)22-24-20(30-3)13-21(25-22)31-4/h5-13,27H,1-4H3
InChIKeyMCFSBGUSEICZHG-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.23
Rot. Bonds7

About 5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide

5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide (PubChem CID 67669197) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is 5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide
PubChem CID67669197
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC Name5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide
SMILESCOc1cc(OC)nc(-c2ccc(-c3ccccc3)c(S(=O)(=O)Nc3onc(C)c3C)c2)n1
InChIInChI=1S/C23H22N4O5S/c1-14-15(2)26-32-23(14)27-33(28,29)19-12-17(10-11-18(19)16-8-6-5-7-9-16)22-24-20(30-3)13-21(25-22)31-4/h5-13,27H,1-4H3
InChIKeyMCFSBGUSEICZHG-UHFFFAOYSA-N
XLogP4.23
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide 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-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide?
The IUPAC name of 5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide (CID 67669197) is 5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide.
What is the SMILES notation for 5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide?
The canonical SMILES for 5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide is COc1cc(OC)nc(-c2ccc(-c3ccccc3)c(S(=O)(=O)Nc3onc(C)c3C)c2)n1.
What is the InChIKey of 5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide?
The InChIKey is MCFSBGUSEICZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-14-15(2)26-32-23(14)27-33(28,29)19-12-17(10-11-18(19)16-8-6-5-7-9-16)22-24-20(30-3)13-21(25-22)31-4/h5-13,27H,1-4H3.
What are the key properties of 5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide?
5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide has a molecular weight of 466.52 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide is sourced from PubChem (CID 67669197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).