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

C25H29N3O3S — CID 90692885

IUPACN-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide
SMILESCc1ccc2c(OCCN3CCCCC3=Cc3cccc(NS(C)(=O)=O)c3)cccc2n1
InChIInChI=1S/C25H29N3O3S/c1-19-12-13-23-24(26-19)10-6-11-25(23)31-16-15-28-14-4-3-9-22(28)18-20-7-5-8-21(17-20)27-32(2,29)30/h5-8,10-13,17-18,27H,3-4,9,14-16H2,1-2H3
InChIKeyYMNGUYRCWIJULL-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.82
Rot. Bonds7

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

N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide (PubChem CID 90692885) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide
PubChem CID90692885
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide
SMILESCc1ccc2c(OCCN3CCCCC3=Cc3cccc(NS(C)(=O)=O)c3)cccc2n1
InChIInChI=1S/C25H29N3O3S/c1-19-12-13-23-24(26-19)10-6-11-25(23)31-16-15-28-14-4-3-9-22(28)18-20-7-5-8-21(17-20)27-32(2,29)30/h5-8,10-13,17-18,27H,3-4,9,14-16H2,1-2H3
InChIKeyYMNGUYRCWIJULL-UHFFFAOYSA-N
XLogP4.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide (CID 90692885) is N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide is Cc1ccc2c(OCCN3CCCCC3=Cc3cccc(NS(C)(=O)=O)c3)cccc2n1.
What is the InChIKey of N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide?
The InChIKey is YMNGUYRCWIJULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-19-12-13-23-24(26-19)10-6-11-25(23)31-16-15-28-14-4-3-9-22(28)18-20-7-5-8-21(17-20)27-32(2,29)30/h5-8,10-13,17-18,27H,3-4,9,14-16H2,1-2H3.
What are the key properties of N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide?
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide has a molecular weight of 451.59 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 90692885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).