(E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide

C24H27N5O2S — CID 122287937

IUPAC(E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1
InChIInChI=1S/C24H27N5O2S/c1-19-18-23(29-15-6-3-7-16-29)27-24(25-19)26-21-10-12-22(13-11-21)28-32(30,31)17-14-20-8-4-2-5-9-20/h2,4-5,8-14,17-18,28H,3,6-7,15-16H2,1H3,(H,25,26,27)/b17-14+
InChIKeyNQKUWWDERKRAKI-SAPNQHFASA-N
MW449.58 g/mol
LogP4.93
Rot. Bonds7

About (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide

(E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide (PubChem CID 122287937) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
PubChem CID122287937
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC Name(E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1
InChIInChI=1S/C24H27N5O2S/c1-19-18-23(29-15-6-3-7-16-29)27-24(25-19)26-21-10-12-22(13-11-21)28-32(30,31)17-14-20-8-4-2-5-9-20/h2,4-5,8-14,17-18,28H,3,6-7,15-16H2,1H3,(H,25,26,27)/b17-14+
InChIKeyNQKUWWDERKRAKI-SAPNQHFASA-N
XLogP4.93
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide with MolForge

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Related Compounds

(E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
CID 122288185
(E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide
CID 122318348
N-(4,6-dimethylpyrimidin-2-yl)-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 1110754
4-chloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27478593
3-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 44826889
2,6-difluoro-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 122287691
3,4-dimethyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27510286
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121032489
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
1-(4-fluorophenyl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]methanesulfonamide
CID 122287947
2,4-difluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 121032487

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide (CID 122287937) is (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide is Cc1cc(N2CCCCC2)nc(Nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1.
What is the InChIKey of (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide?
The InChIKey is NQKUWWDERKRAKI-SAPNQHFASA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-19-18-23(29-15-6-3-7-16-29)27-24(25-19)26-21-10-12-22(13-11-21)28-32(30,31)17-14-20-8-4-2-5-9-20/h2,4-5,8-14,17-18,28H,3,6-7,15-16H2,1H3,(H,25,26,27)/b17-14+.
What are the key properties of (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide?
(E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide has a molecular weight of 449.58 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 122287937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).