N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide

C26H31N3O3S — CID 69354041

IUPACN-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide
SMILESCc1ccc2c(OCCN3CCC(=Cc4cccc(N(C)S(C)(=O)=O)c4)CC3)cccc2n1
InChIInChI=1S/C26H31N3O3S/c1-20-10-11-24-25(27-20)8-5-9-26(24)32-17-16-29-14-12-21(13-15-29)18-22-6-4-7-23(19-22)28(2)33(3,30)31/h4-11,18-19H,12-17H2,1-3H3
InChIKeyGEMRNXGRKAYHKP-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.50
Rot. Bonds7

About N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide

N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide (PubChem CID 69354041) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide
PubChem CID69354041
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide
SMILESCc1ccc2c(OCCN3CCC(=Cc4cccc(N(C)S(C)(=O)=O)c4)CC3)cccc2n1
InChIInChI=1S/C26H31N3O3S/c1-20-10-11-24-25(27-20)8-5-9-26(24)32-17-16-29-14-12-21(13-15-29)18-22-6-4-7-23(19-22)28(2)33(3,30)31/h4-11,18-19H,12-17H2,1-3H3
InChIKeyGEMRNXGRKAYHKP-UHFFFAOYSA-N
XLogP4.50
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide (CID 69354041) is N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide is Cc1ccc2c(OCCN3CCC(=Cc4cccc(N(C)S(C)(=O)=O)c4)CC3)cccc2n1.
What is the InChIKey of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide?
The InChIKey is GEMRNXGRKAYHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-20-10-11-24-25(27-20)8-5-9-26(24)32-17-16-29-14-12-21(13-15-29)18-22-6-4-7-23(19-22)28(2)33(3,30)31/h4-11,18-19H,12-17H2,1-3H3.
What are the key properties of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide?
N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide has a molecular weight of 465.62 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 69354041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).