N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide

C22H29ClN2O3S — CID 164906468

IUPACN-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(OCC2CCCN(CCc3cccc(Cl)c3)C2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H29ClN2O3S/c1-24(29(2,26)27)21-8-10-22(11-9-21)28-17-19-6-4-13-25(16-19)14-12-18-5-3-7-20(23)15-18/h3,5,7-11,15,19H,4,6,12-14,16-17H2,1-2H3
InChIKeyKOGFTMOGGAEZMA-UHFFFAOYSA-N
MW437.01 g/mol
LogP4.07
Rot. Bonds8

About N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide

N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide (PubChem CID 164906468) has the molecular formula C22H29ClN2O3S and a molecular weight of 437.01 g/mol. Its IUPAC name is N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide
PubChem CID164906468
Molecular FormulaC22H29ClN2O3S
Molecular Weight437.01 g/mol
Exact Mass436.16
IUPAC NameN-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(OCC2CCCN(CCc3cccc(Cl)c3)C2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H29ClN2O3S/c1-24(29(2,26)27)21-8-10-22(11-9-21)28-17-19-6-4-13-25(16-19)14-12-18-5-3-7-20(23)15-18/h3,5,7-11,15,19H,4,6,12-14,16-17H2,1-2H3
InChIKeyKOGFTMOGGAEZMA-UHFFFAOYSA-N
XLogP4.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.01
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfinamide
CID 164906185
1-[2-(3-chlorophenyl)ethyl]-3-[(4-methylsulfanylphenoxy)methyl]azepane
CID 164906267
(3R)-1-[2-(3-chlorophenyl)ethyl]-4-methoxy-3-[(4-methylsulfonylphenoxy)methyl]piperidine
CID 175502440
N-[4-[3-[2-(3-chlorophenyl)ethyl-(cyclopropylmethyl)amino]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide
CID 169274979
(3S)-1-[2-(3-chlorophenyl)ethyl]-3-[[4-[(1R)-1-methylsulfonylethyl]phenoxy]methyl]piperazine
CID 172620461
(3S)-1-[2-(3-chlorophenyl)ethyl]-3-[[4-[(1S)-1-methylsulfonylethyl]phenoxy]methyl]piperazine
CID 172620403
1-[2-(3-chlorophenyl)ethyl]-3-[2-(4-methylsulfinylphenyl)ethyl]piperidine
CID 164906162
1-[2-(3-chlorophenyl)ethyl]-3-[(4-methylsulfinylphenoxy)methyl]piperidin-4-ol
CID 164906333
(3S)-3-[[4-(azetidin-3-ylsulfonyl)phenoxy]methyl]-1-[2-(3-chlorophenyl)ethyl]piperazine
CID 164906304
[(3S,4S)-1-[2-(3-chlorophenyl)ethyl]-4-[(4-methylphenoxy)methyl]pyrrolidin-3-yl]methanol
CID 174252430
1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43923883
4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 42415674

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide (CID 164906468) is N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide is CN(c1ccc(OCC2CCCN(CCc3cccc(Cl)c3)C2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide?
The InChIKey is KOGFTMOGGAEZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O3S/c1-24(29(2,26)27)21-8-10-22(11-9-21)28-17-19-6-4-13-25(16-19)14-12-18-5-3-7-20(23)15-18/h3,5,7-11,15,19H,4,6,12-14,16-17H2,1-2H3.
What are the key properties of N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide?
N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide has a molecular weight of 437.01 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[2-(3-chlorophenyl)ethyl]piperidin-3-yl]methoxy]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 164906468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).