N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide

C25H31N3O3S — CID 127037682

IUPACN-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cncc3ccccc23)CC1
InChIInChI=1S/C25H31N3O3S/c1-19(2)22-8-5-6-10-24(22)31-16-15-28-13-11-21(12-14-28)27-32(29,30)25-18-26-17-20-7-3-4-9-23(20)25/h3-10,17-19,21,27H,11-16H2,1-2H3
InChIKeyKXVBUWHQNVNMBC-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.18
Rot. Bonds8

About N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide

N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide (PubChem CID 127037682) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide
PubChem CID127037682
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cncc3ccccc23)CC1
InChIInChI=1S/C25H31N3O3S/c1-19(2)22-8-5-6-10-24(22)31-16-15-28-13-11-21(12-14-28)27-32(29,30)25-18-26-17-20-7-3-4-9-23(20)25/h3-10,17-19,21,27H,11-16H2,1-2H3
InChIKeyKXVBUWHQNVNMBC-UHFFFAOYSA-N
XLogP4.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18137019
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
5-chloro-2-fluoro-N-[(3S)-1-[2-(2-propan-2-yloxyphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 134138730
1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 47079917
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide
CID 126775893
ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate
CID 25043133
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
N-(1-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684087
4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid
CID 69166315
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide?
The IUPAC name of N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide (CID 127037682) is N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide?
The canonical SMILES for N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide is CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cncc3ccccc23)CC1.
What is the InChIKey of N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide?
The InChIKey is KXVBUWHQNVNMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-19(2)22-8-5-6-10-24(22)31-16-15-28-13-11-21(12-14-28)27-32(29,30)25-18-26-17-20-7-3-4-9-23(20)25/h3-10,17-19,21,27H,11-16H2,1-2H3.
What are the key properties of N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide?
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide has a molecular weight of 453.61 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide is sourced from PubChem (CID 127037682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).