(E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide

C27H27N5O4S — CID 10481697

IUPAC(E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCOc1ccccc1-c1c(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)nc(-c2ncccn2)nc1OC
InChIInChI=1S/C27H27N5O4S/c1-17-15-18(2)20(19(3)16-17)11-14-37(33,34)32-24-23(21-9-6-7-10-22(21)35-4)27(36-5)31-26(30-24)25-28-12-8-13-29-25/h6-16H,1-5H3,(H,30,31,32)/b14-11+
InChIKeyVVYMEGMYESPUIO-SDNWHVSQSA-N
MW517.61 g/mol
LogP4.96
Rot. Bonds8

About (E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide

(E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide (PubChem CID 10481697) has the molecular formula C27H27N5O4S and a molecular weight of 517.61 g/mol. Its IUPAC name is (E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide
PubChem CID10481697
Molecular FormulaC27H27N5O4S
Molecular Weight517.61 g/mol
Exact Mass517.18
IUPAC Name(E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCOc1ccccc1-c1c(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)nc(-c2ncccn2)nc1OC
InChIInChI=1S/C27H27N5O4S/c1-17-15-18(2)20(19(3)16-17)11-14-37(33,34)32-24-23(21-9-6-7-10-22(21)35-4)27(36-5)31-26(30-24)25-28-12-8-13-29-25/h6-16H,1-5H3,(H,30,31,32)/b14-11+
InChIKeyVVYMEGMYESPUIO-SDNWHVSQSA-N
XLogP4.96
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(E)-2-(2,5-dimethylphenyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]ethenesulfonamide
CID 10918362
(E)-2-(2,3-dimethylphenyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]ethenesulfonamide
CID 11135096
(E)-2-(2,6-diethoxyphenyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]ethenesulfonamide
CID 102017795
(E)-N-pyridin-2-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 97465028
(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,6-dichlorophenyl)ethenesulfonamide
CID 11734452
(E)-N-[6-(3-hydroxypropoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
CID 10530396
N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide
CID 74047213
(Z)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide
CID 10283091
(E)-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-3-ylethenesulfonamide
CID 18704858
N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,3,4-trifluorophenyl)ethenesulfonamide
CID 173278557
(E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 90481095
N-[6-methoxy-5-(2-methoxyphenoxy)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 54158240

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide (CID 10481697) is (E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide is COc1ccccc1-c1c(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)nc(-c2ncccn2)nc1OC.
What is the InChIKey of (E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The InChIKey is VVYMEGMYESPUIO-SDNWHVSQSA-N. The full InChI is InChI=1S/C27H27N5O4S/c1-17-15-18(2)20(19(3)16-17)11-14-37(33,34)32-24-23(21-9-6-7-10-22(21)35-4)27(36-5)31-26(30-24)25-28-12-8-13-29-25/h6-16H,1-5H3,(H,30,31,32)/b14-11+.
What are the key properties of (E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
(E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide has a molecular weight of 517.61 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide is sourced from PubChem (CID 10481697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).