N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide

C25H27N5O4S — CID 122313487

IUPACN-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(-n4cnc(C)c4C)nc(C)n3)cc2)c(C)c1C
InChIInChI=1S/C25H27N5O4S/c1-15-16(2)23(12-11-22(15)33-6)35(31,32)29-20-7-9-21(10-8-20)34-25-13-24(27-19(5)28-25)30-14-26-17(3)18(30)4/h7-14,29H,1-6H3
InChIKeyDDBSJGNJMJSACB-UHFFFAOYSA-N
MW493.59 g/mol
LogP4.81
Rot. Bonds7

About N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 122313487) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID122313487
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC NameN-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(-n4cnc(C)c4C)nc(C)n3)cc2)c(C)c1C
InChIInChI=1S/C25H27N5O4S/c1-15-16(2)23(12-11-22(15)33-6)35(31,32)29-20-7-9-21(10-8-20)34-25-13-24(27-19(5)28-25)30-14-26-17(3)18(30)4/h7-14,29H,1-6H3
InChIKeyDDBSJGNJMJSACB-UHFFFAOYSA-N
XLogP4.81
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 122313454
2,4-dichloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methylbenzenesulfonamide
CID 122313640
5-bromo-N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]thiophene-2-sulfonamide
CID 122313646
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,4-dimethoxybenzenesulfonamide
CID 122307247
5-chloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-methoxybenzenesulfonamide
CID 122307201
4-methoxy-2,3-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305882
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzenesulfonamide
CID 122306992
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)pyridazin-3-yl]oxyphenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 122307004
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 122313542
1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122313433
2,4,5-trimethyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312715

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 122313487) is N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(-n4cnc(C)c4C)nc(C)n3)cc2)c(C)c1C.
What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is DDBSJGNJMJSACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-15-16(2)23(12-11-22(15)33-6)35(31,32)29-20-7-9-21(10-8-20)34-25-13-24(27-19(5)28-25)30-14-26-17(3)18(30)4/h7-14,29H,1-6H3.
What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 122313487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).