(E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide

C23H25N5O3S — CID 122288185

IUPAC(E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1
InChIInChI=1S/C23H25N5O3S/c1-18-17-22(28-12-14-31-15-13-28)26-23(24-18)25-20-7-9-21(10-8-20)27-32(29,30)16-11-19-5-3-2-4-6-19/h2-11,16-17,27H,12-15H2,1H3,(H,24,25,26)/b16-11+
InChIKeyGWGGWSMAZJERGI-LFIBNONCSA-N
MW451.55 g/mol
LogP3.78
Rot. Bonds7

About (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide

(E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide (PubChem CID 122288185) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
PubChem CID122288185
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name(E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1
InChIInChI=1S/C23H25N5O3S/c1-18-17-22(28-12-14-31-15-13-28)26-23(24-18)25-20-7-9-21(10-8-20)27-32(29,30)16-11-19-5-3-2-4-6-19/h2-11,16-17,27H,12-15H2,1H3,(H,24,25,26)/b16-11+
InChIKeyGWGGWSMAZJERGI-LFIBNONCSA-N
XLogP3.78
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide with MolForge

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Related Compounds

(E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
CID 122287937
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide
CID 122288208
2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27475758
2,5-dimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27487631
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122288193
3-acetyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 122288188
4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
CID 44526921
N-(4,6-dimethylpyrimidin-2-yl)-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 1110754
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122288226
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide
CID 44826898
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122288067

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide (CID 122288185) is (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide is Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1.
What is the InChIKey of (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide?
The InChIKey is GWGGWSMAZJERGI-LFIBNONCSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-18-17-22(28-12-14-31-15-13-28)26-23(24-18)25-20-7-9-21(10-8-20)27-32(29,30)16-11-19-5-3-2-4-6-19/h2-11,16-17,27H,12-15H2,1H3,(H,24,25,26)/b16-11+.
What are the key properties of (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide?
(E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide has a molecular weight of 451.55 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 122288185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).