N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide

C24H26FN3O4S — CID 38459999

IUPACN-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1cnc2c(S(=O)(=O)N3CCC(C(=O)NCCOc4ccccc4F)CC3)cccc2c1
InChIInChI=1S/C24H26FN3O4S/c1-17-15-19-5-4-8-22(23(19)27-16-17)33(30,31)28-12-9-18(10-13-28)24(29)26-11-14-32-21-7-3-2-6-20(21)25/h2-8,15-16,18H,9-14H2,1H3,(H,26,29)
InChIKeyRFNPFUMUOPQWAR-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.28
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 38459999) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide
PubChem CID38459999
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1cnc2c(S(=O)(=O)N3CCC(C(=O)NCCOc4ccccc4F)CC3)cccc2c1
InChIInChI=1S/C24H26FN3O4S/c1-17-15-19-5-4-8-22(23(19)27-16-17)33(30,31)28-12-9-18(10-13-28)24(29)26-11-14-32-21-7-3-2-6-20(21)25/h2-8,15-16,18H,9-14H2,1H3,(H,26,29)
InChIKeyRFNPFUMUOPQWAR-UHFFFAOYSA-N
XLogP3.28
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide 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

1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 27040123
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256
1-(4-chlorophenyl)sulfonyl-N-[3-(2-fluorophenoxy)propyl]piperidine-4-carboxamide
CID 17479995
N-[3-(4-chloro-2-methylphenoxy)propyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 60578837
N-(2-fluorophenyl)-3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide
CID 31992841
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308867
N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 31990964
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
2-(4-fluoroanilino)-1-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-2-yl]ethanone
CID 167625873
N-methyl-1-[(3R)-1-(3-methylquinolin-8-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 124684923
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide (CID 38459999) is N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide is Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)NCCOc4ccccc4F)CC3)cccc2c1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RFNPFUMUOPQWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-17-15-19-5-4-8-22(23(19)27-16-17)33(30,31)28-12-9-18(10-13-28)24(29)26-11-14-32-21-7-3-2-6-20(21)25/h2-8,15-16,18H,9-14H2,1H3,(H,26,29).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 38459999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).