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

C25H31N3O4S — CID 134143943

IUPACN-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide
SMILESCC(C)Oc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C25H31N3O4S/c1-19(2)32-23-10-4-3-9-22(23)31-18-17-28-15-12-21(13-16-28)27-33(29,30)24-11-5-7-20-8-6-14-26-25(20)24/h3-11,14,19,21,27H,12-13,15-18H2,1-2H3
InChIKeyDDBDCLMONQROIT-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.84
Rot. Bonds9

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

N-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide (PubChem CID 134143943) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide
PubChem CID134143943
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide
SMILESCC(C)Oc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C25H31N3O4S/c1-19(2)32-23-10-4-3-9-22(23)31-18-17-28-15-12-21(13-16-28)27-33(29,30)24-11-5-7-20-8-6-14-26-25(20)24/h3-11,14,19,21,27H,12-13,15-18H2,1-2H3
InChIKeyDDBDCLMONQROIT-UHFFFAOYSA-N
XLogP3.84
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]quinoline-8-sulfonamide?
The IUPAC name of N-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide (CID 134143943) is N-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide is CC(C)Oc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide?
The InChIKey is DDBDCLMONQROIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-19(2)32-23-10-4-3-9-22(23)31-18-17-28-15-12-21(13-16-28)27-33(29,30)24-11-5-7-20-8-6-14-26-25(20)24/h3-11,14,19,21,27H,12-13,15-18H2,1-2H3.
What are the key properties of N-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide?
N-[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide has a molecular weight of 469.61 g/mol, XLogP of 3.84, 9 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]quinoline-8-sulfonamide is sourced from PubChem (CID 134143943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).