N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide

C23H21N5O4S2 — CID 74047213

IUPACN-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide
SMILESCc1ccc(-c2c(NS(=O)(=O)C=Cc3cccs3)nc(-c3ncccn3)nc2OCCO)cc1
InChIInChI=1S/C23H21N5O4S2/c1-16-5-7-17(8-6-16)19-20(28-34(30,31)15-9-18-4-2-14-33-18)26-22(21-24-10-3-11-25-21)27-23(19)32-13-12-29/h2-11,14-15,29H,12-13H2,1H3,(H,26,27,28)
InChIKeyTWYLRJOANZZBFI-UHFFFAOYSA-N
MW495.59 g/mol
LogP3.75
Rot. Bonds9

About N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide

N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide (PubChem CID 74047213) has the molecular formula C23H21N5O4S2 and a molecular weight of 495.59 g/mol. Its IUPAC name is N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide
PubChem CID74047213
Molecular FormulaC23H21N5O4S2
Molecular Weight495.59 g/mol
Exact Mass495.10
IUPAC NameN-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide
SMILESCc1ccc(-c2c(NS(=O)(=O)C=Cc3cccs3)nc(-c3ncccn3)nc2OCCO)cc1
InChIInChI=1S/C23H21N5O4S2/c1-16-5-7-17(8-6-16)19-20(28-34(30,31)15-9-18-4-2-14-33-18)26-22(21-24-10-3-11-25-21)27-23(19)32-13-12-29/h2-11,14-15,29H,12-13H2,1H3,(H,26,27,28)
InChIKeyTWYLRJOANZZBFI-UHFFFAOYSA-N
XLogP3.75
TPSA127.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(Z)-N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide
CID 10283091
N-[2-(2-cyano-4-pyridinyl)-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 142178172
(E)-N-[6-chloro-2-cyclopropyl-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide;(E)-N-[2-cyclopropyl-6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 160721021
6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidine-4-carboxamide
CID 68896951
(E)-N-[6-(3-hydroxypropoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
CID 10530396
(E)-N-[6-methoxy-5-(2-methoxyphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 10481697
(E)-N-[5-(4-bromophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 23394012
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-2-thiophen-3-ylethenesulfonamide
CID 67014532
2-[6-(ethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethanol
CID 71499827
(E)-N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfinamide
CID 142109300
(E)-2-(2,3-dimethylphenyl)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]ethenesulfonamide
CID 11135096
2,5-dichloro-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]thiophene-3-sulfonamide
CID 54173771

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide?
The IUPAC name of N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide (CID 74047213) is N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide.
What is the SMILES notation for N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide?
The canonical SMILES for N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide is Cc1ccc(-c2c(NS(=O)(=O)C=Cc3cccs3)nc(-c3ncccn3)nc2OCCO)cc1.
What is the InChIKey of N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide?
The InChIKey is TWYLRJOANZZBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S2/c1-16-5-7-17(8-6-16)19-20(28-34(30,31)15-9-18-4-2-14-33-18)26-22(21-24-10-3-11-25-21)27-23(19)32-13-12-29/h2-11,14-15,29H,12-13H2,1H3,(H,26,27,28).
What are the key properties of N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide?
N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide has a molecular weight of 495.59 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-thiophen-2-ylethenesulfonamide is sourced from PubChem (CID 74047213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).