N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide

C28H32F2N2O4S — CID 19776704

IUPACN-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H32F2N2O4S/c1-37(33,34)31-26-5-2-3-6-27(26)35-20-4-17-32-18-15-25(16-19-32)36-28(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h2-3,5-14,25,28,31H,4,15-20H2,1H3
InChIKeyCZYHCACDVDJYLI-UHFFFAOYSA-N
MW530.64 g/mol
LogP5.38
Rot. Bonds11

About N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide

N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide (PubChem CID 19776704) has the molecular formula C28H32F2N2O4S and a molecular weight of 530.64 g/mol. Its IUPAC name is N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide
PubChem CID19776704
Molecular FormulaC28H32F2N2O4S
Molecular Weight530.64 g/mol
Exact Mass530.21
IUPAC NameN-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H32F2N2O4S/c1-37(33,34)31-26-5-2-3-6-27(26)35-20-4-17-32-18-15-25(16-19-32)36-28(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h2-3,5-14,25,28,31H,4,15-20H2,1H3
InChIKeyCZYHCACDVDJYLI-UHFFFAOYSA-N
XLogP5.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.64
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(4-benzhydryloxypiperidin-1-yl)propoxy]-4-fluorophenyl]methanesulfonamide
CID 19776786
N-[2-[3-[4-[phenyl(pyridin-4-yl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide
CID 19776705
N-[2-[3-[4-[furan-3-yl(phenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide
CID 139624580
N-[2-[3-(4-benzhydryloxypiperidin-1-yl)propoxy]phenyl]benzenesulfonamide
CID 19776812
methyl 6-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]hexanoate;hydrochloride
CID 67903111
3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride
CID 67831048
2-[3-[4-[phenyl(pyridin-3-yl)methoxy]piperidin-1-yl]propoxy]aniline
CID 19776747
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
2-[3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propylamino]-4-methylphenol
CID 10253913
methyl 6-[4-[phenyl-(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]hexanoate
CID 139601779
5-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-1,2-dihydropyrazol-3-one
CID 139981398
N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 19854940

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide (CID 19776704) is N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1OCCCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide?
The InChIKey is CZYHCACDVDJYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N2O4S/c1-37(33,34)31-26-5-2-3-6-27(26)35-20-4-17-32-18-15-25(16-19-32)36-28(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h2-3,5-14,25,28,31H,4,15-20H2,1H3.
What are the key properties of N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide?
N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide has a molecular weight of 530.64 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 19776704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).