(E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide

C24H23N5O3S — CID 122312893

IUPAC(E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)cc1
InChIInChI=1S/C24H23N5O3S/c1-17-4-6-20(7-5-17)12-15-33(30,31)28-21-8-10-22(11-9-21)32-24-16-23(26-18(2)27-24)29-14-13-25-19(29)3/h4-16,28H,1-3H3/b15-12+
InChIKeyVWJJTWZWXSWOAY-NTCAYCPXSA-N
MW461.55 g/mol
LogP4.79
Rot. Bonds7

About (E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 122312893) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is (E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID122312893
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name(E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)cc1
InChIInChI=1S/C24H23N5O3S/c1-17-4-6-20(7-5-17)12-15-33(30,31)28-21-8-10-22(11-9-21)32-24-16-23(26-18(2)27-24)29-14-13-25-19(29)3/h4-16,28H,1-3H3/b15-12+
InChIKeyVWJJTWZWXSWOAY-NTCAYCPXSA-N
XLogP4.79
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-2-(4-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethenesulfonamide
CID 122309492
2,4,5-trimethyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312715
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide
CID 122312789
2-chloro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312728
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
5-chloro-2-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312878
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122312915
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea
CID 122312668
4-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306608
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
CID 122312815
2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312623
4-(1,3-dioxoisoindol-2-yl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]butanamide
CID 122312828

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide (CID 122312893) is (E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)cc1.
What is the InChIKey of (E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is VWJJTWZWXSWOAY-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-17-4-6-20(7-5-17)12-15-33(30,31)28-21-8-10-22(11-9-21)32-24-16-23(26-18(2)27-24)29-14-13-25-19(29)3/h4-16,28H,1-3H3/b15-12+.
What are the key properties of (E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 461.55 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 122312893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).