3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol

C25H28N4O4S — CID 16662722

IUPAC3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol
SMILESO=S(=O)(c1ccc(Nc2ncc(/C=C/c3cccc(O)c3)cn2)cc1)N1CCC(CCO)CC1
InChIInChI=1S/C25H28N4O4S/c30-15-12-19-10-13-29(14-11-19)34(32,33)24-8-6-22(7-9-24)28-25-26-17-21(18-27-25)5-4-20-2-1-3-23(31)16-20/h1-9,16-19,30-31H,10-15H2,(H,26,27,28)/b5-4+
InChIKeySQVXMTUSFILBIY-SNAWJCMRSA-N
MW480.59 g/mol
LogP3.88
Rot. Bonds8

About 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol

3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol (PubChem CID 16662722) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol
PubChem CID16662722
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol
SMILESO=S(=O)(c1ccc(Nc2ncc(/C=C/c3cccc(O)c3)cn2)cc1)N1CCC(CCO)CC1
InChIInChI=1S/C25H28N4O4S/c30-15-12-19-10-13-29(14-11-19)34(32,33)24-8-6-22(7-9-24)28-25-26-17-21(18-27-25)5-4-20-2-1-3-23(31)16-20/h1-9,16-19,30-31H,10-15H2,(H,26,27,28)/b5-4+
InChIKeySQVXMTUSFILBIY-SNAWJCMRSA-N
XLogP3.88
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol 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

[1-[4-[[5-[2-(2-amino-2,3-dihydro-1H-inden-5-yl)ethenyl]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-4-yl]methanol
CID 69443034
3-[2-[2-[4-piperazin-1-ylsulfonyl-3-(trifluoromethyl)anilino]pyrimidin-5-yl]ethenyl]phenol
CID 69441636
3-[(E)-2-[2-(3-fluoro-4-piperazin-1-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]phenol
CID 58901657
3-[2-[2-[4-(1,4-diazepan-1-ylsulfonyl)anilino]pyrimidin-5-yl]ethenyl]benzenesulfonamide
CID 69443908
3-[2-[4-methyl-2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]phenol
CID 69442412
tert-butyl 4-[4-[[5-[2-(4-bromophenyl)ethenyl]pyrimidin-2-yl]amino]phenyl]sulfonylpiperazine-1-carboxylate
CID 69443800
4-[[6-[(E)-2-(3-hydroxyphenyl)ethenyl]-1,2,4-triazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 16662591
methyl 2-[[1-[4-[[5-[(E)-2-(2-amino-1,3-benzothiazol-6-yl)ethenyl]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-4-yl]amino]acetate
CID 58901891
N-(4-piperidin-4-ylsulfonylphenyl)-5-[2-[3-(trifluoromethyl)phenyl]ethenyl]pyrimidin-2-amine
CID 69441709
4-[(E)-2-[2-[4-(1,4-diazepan-1-ylsulfonyl)anilino]pyrimidin-5-yl]ethenyl]benzenesulfonamide
CID 16662444
3-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]benzenesulfonamide
CID 16663033
1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-2-methylguanidine
CID 89362223

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol?
The IUPAC name of 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol (CID 16662722) is 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol is O=S(=O)(c1ccc(Nc2ncc(/C=C/c3cccc(O)c3)cn2)cc1)N1CCC(CCO)CC1.
What is the InChIKey of 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol?
The InChIKey is SQVXMTUSFILBIY-SNAWJCMRSA-N. The full InChI is InChI=1S/C25H28N4O4S/c30-15-12-19-10-13-29(14-11-19)34(32,33)24-8-6-22(7-9-24)28-25-26-17-21(18-27-25)5-4-20-2-1-3-23(31)16-20/h1-9,16-19,30-31H,10-15H2,(H,26,27,28)/b5-4+.
What are the key properties of 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol?
3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol has a molecular weight of 480.59 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-5-yl]ethenyl]phenol is sourced from PubChem (CID 16662722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).