N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide

C23H23N5O3S — CID 122314023

IUPACN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccc(Oc3cc(-n4cnc(C)c4C)ncn3)cc2)c1
InChIInChI=1S/C23H23N5O3S/c1-16-5-4-6-19(11-16)13-32(29,30)27-20-7-9-21(10-8-20)31-23-12-22(24-14-25-23)28-15-26-17(2)18(28)3/h4-12,14-15,27H,13H2,1-3H3
InChIKeyBDWKAAKBDBBLLL-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.32
Rot. Bonds7

About N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 122314023) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID122314023
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccc(Oc3cc(-n4cnc(C)c4C)ncn3)cc2)c1
InChIInChI=1S/C23H23N5O3S/c1-16-5-4-6-19(11-16)13-32(29,30)27-20-7-9-21(10-8-20)31-23-12-22(24-14-25-23)28-15-26-17(2)18(28)3/h4-12,14-15,27H,13H2,1-3H3
InChIKeyBDWKAAKBDBBLLL-UHFFFAOYSA-N
XLogP4.32
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 122314022
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide
CID 122314037
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(3-methylphenoxy)acetamide
CID 122313922
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122311753
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122313660
1-(3-chlorophenyl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]methanesulfonamide
CID 122309912
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122307189
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 122313454
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide
CID 122311212
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide
CID 122314087
2-(4-chlorophenyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122313780
N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide
CID 122308945

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide (CID 122314023) is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2ccc(Oc3cc(-n4cnc(C)c4C)ncn3)cc2)c1.
What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is BDWKAAKBDBBLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-16-5-4-6-19(11-16)13-32(29,30)27-20-7-9-21(10-8-20)31-23-12-22(24-14-25-23)28-15-26-17(2)18(28)3/h4-12,14-15,27H,13H2,1-3H3.
What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide?
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 449.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 122314023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).