N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide

C24H22N4O5S2 — CID 54158240

IUPACN-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)C=Cc2ccccc2)nc(-c2csc(C)n2)nc1OC
InChIInChI=1S/C24H22N4O5S2/c1-16-25-18(15-34-16)22-26-23(28-35(29,30)14-13-17-9-5-4-6-10-17)21(24(27-22)32-3)33-20-12-8-7-11-19(20)31-2/h4-15H,1-3H3,(H,26,27,28)
InChIKeyOMOMFUVDFDLMCY-UHFFFAOYSA-N
MW510.60 g/mol
LogP5.13
Rot. Bonds9

About N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide

N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide (PubChem CID 54158240) has the molecular formula C24H22N4O5S2 and a molecular weight of 510.60 g/mol. Its IUPAC name is N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide
PubChem CID54158240
Molecular FormulaC24H22N4O5S2
Molecular Weight510.60 g/mol
Exact Mass510.10
IUPAC NameN-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)C=Cc2ccccc2)nc(-c2csc(C)n2)nc1OC
InChIInChI=1S/C24H22N4O5S2/c1-16-25-18(15-34-16)22-26-23(28-35(29,30)14-13-17-9-5-4-6-10-17)21(24(27-22)32-3)33-20-12-8-7-11-19(20)31-2/h4-15H,1-3H3,(H,26,27,28)
InChIKeyOMOMFUVDFDLMCY-UHFFFAOYSA-N
XLogP5.13
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 70200842
(E)-N-[6-(3-hydroxypropoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
CID 10530396
(E)-2-(2,6-diethoxyphenyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]ethenesulfonamide
CID 102017795
(E)-2-(2,3-dimethylphenyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]ethenesulfonamide
CID 11135096
(E)-2-(2,5-dimethylphenyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]ethenesulfonamide
CID 10918362
(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-3-ylethenesulfonamide
CID 18704858
N-[2-(1-hydroxypyridin-1-ium-4-yl)-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]methanesulfonamide
CID 135962997
(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,6-dichlorophenyl)ethenesulfonamide
CID 11734452
(E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 10481697
N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
CID 54011551
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,3,4-trifluorophenyl)ethenesulfonamide
CID 173278557
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide?
The IUPAC name of N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide (CID 54158240) is N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide?
The canonical SMILES for N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide is COc1ccccc1Oc1c(NS(=O)(=O)C=Cc2ccccc2)nc(-c2csc(C)n2)nc1OC.
What is the InChIKey of N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide?
The InChIKey is OMOMFUVDFDLMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S2/c1-16-25-18(15-34-16)22-26-23(28-35(29,30)14-13-17-9-5-4-6-10-17)21(24(27-22)32-3)33-20-12-8-7-11-19(20)31-2/h4-15H,1-3H3,(H,26,27,28).
What are the key properties of N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide?
N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide has a molecular weight of 510.60 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 54158240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).