N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide

C26H33N3O4S — CID 134136412

IUPACN-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide
SMILESCC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C26H33N3O4S/c1-20(2)33-24-10-4-3-9-23(24)32-18-17-29-15-12-21(13-16-29)19-28-34(30,31)25-11-5-7-22-8-6-14-27-26(22)25/h3-11,14,20-21,28H,12-13,15-19H2,1-2H3
InChIKeyHVOJLKOTYQGALX-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.09
Rot. Bonds10

About N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide

N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide (PubChem CID 134136412) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide
PubChem CID134136412
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide
SMILESCC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C26H33N3O4S/c1-20(2)33-24-10-4-3-9-23(24)32-18-17-29-15-12-21(13-16-29)19-28-34(30,31)25-11-5-7-22-8-6-14-27-26(22)25/h3-11,14,20-21,28H,12-13,15-19H2,1-2H3
InChIKeyHVOJLKOTYQGALX-UHFFFAOYSA-N
XLogP4.09
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide with MolForge

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Related Compounds

N-isoquinolin-5-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121325256
N-[4-[2-[[(2S)-2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-3-quinolinesulfonamide
CID 44268268
Quinoline-3-sulfonic acid (4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)-propylamino]-ethyl}-phenyl)-amide
CID 44307378
N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N-phenylquinoline-8-sulfonamide
CID 56926475
4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 5298343
[(2R)-2,3-Dihydro-1,4-benzodioxin-2-yl]methyl-(quinolin-8-ylmethyl)azanium
CID 40135445
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide
CID 2053792
3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 4915707
N-(2-methoxy-5-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5307753
N-(3,4-dimethoxyphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5308310
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 5308667
N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308709

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide (CID 134136412) is N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide is CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is HVOJLKOTYQGALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-20(2)33-24-10-4-3-9-23(24)32-18-17-29-15-12-21(13-16-29)19-28-34(30,31)25-11-5-7-22-8-6-14-27-26(22)25/h3-11,14,20-21,28H,12-13,15-19H2,1-2H3.
What are the key properties of N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide?
N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 483.63 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 134136412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).