N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide

C26H30F2N4O2S — CID 58199789

IUPACN-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3cccc(F)c3)ncc2F)c1)C1CCNCC1
InChIInChI=1S/C26H30F2N4O2S/c1-35(33,34)32(23-11-13-29-14-12-23)18-20-7-2-8-21(15-20)26-24(28)17-30-25(31-26)10-4-6-19-5-3-9-22(27)16-19/h2-3,5,7-9,15-17,23,29H,4,6,10-14,18H2,1H3
InChIKeyVQATWFHNLQJMOL-UHFFFAOYSA-N
MW500.62 g/mol
LogP4.11
Rot. Bonds9

About N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide

N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide (PubChem CID 58199789) has the molecular formula C26H30F2N4O2S and a molecular weight of 500.62 g/mol. Its IUPAC name is N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
PubChem CID58199789
Molecular FormulaC26H30F2N4O2S
Molecular Weight500.62 g/mol
Exact Mass500.21
IUPAC NameN-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3cccc(F)c3)ncc2F)c1)C1CCNCC1
InChIInChI=1S/C26H30F2N4O2S/c1-35(33,34)32(23-11-13-29-14-12-23)18-20-7-2-8-21(15-20)26-24(28)17-30-25(31-26)10-4-6-19-5-3-9-22(27)16-19/h2-3,5,7-9,15-17,23,29H,4,6,10-14,18H2,1H3
InChIKeyVQATWFHNLQJMOL-UHFFFAOYSA-N
XLogP4.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide 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

5-fluoro-2-[3-(3-fluorophenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine
CID 58199905
N-(3-aminopropyl)-N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide
CID 58199919
5-fluoro-2-[3-(3-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine
CID 162052506
N-[[3-[2-(2-phenylethylamino)pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 58603675
N-[[3-[2-[2-(4-hydroxy-3-methylphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 143078380
tert-butyl 4-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]piperidine-1-carboxylate;4-[3-[4-(3-butylphenyl)pyrimidin-2-yl]propyl]phenol;(6S)-1-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4,6-dimethylpiperazin-2-one;2-chloro-4-[3-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;(3S)-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-fluoro-2-[3-(3-fluoro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[[3-[5-fluoro-2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide;N-[2-(3-fluorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine
CID 157234717
N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 58199931
2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol
CID 157341166
N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine
CID 58199734
N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide
CID 58199863
N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-pyrrolidin-3-ylmethanesulfonamide
CID 58603587
2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine
CID 58199647

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide (CID 58199789) is N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide is CS(=O)(=O)N(Cc1cccc(-c2nc(CCCc3cccc(F)c3)ncc2F)c1)C1CCNCC1.
What is the InChIKey of N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is VQATWFHNLQJMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O2S/c1-35(33,34)32(23-11-13-29-14-12-23)18-20-7-2-8-21(15-20)26-24(28)17-30-25(31-26)10-4-6-19-5-3-9-22(27)16-19/h2-3,5,7-9,15-17,23,29H,4,6,10-14,18H2,1H3.
What are the key properties of N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide?
N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 500.62 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-fluoro-2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 58199789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).