N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide

C24H30N2O4S — CID 143943928

IUPACN-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc2c(c1)CCC1(CCCCN1CCc1ccccc1NS(C)(=O)=O)C2=O
InChIInChI=1S/C24H30N2O4S/c1-30-20-9-10-21-19(17-20)11-14-24(23(21)27)13-5-6-15-26(24)16-12-18-7-3-4-8-22(18)25-31(2,28)29/h3-4,7-10,17,25H,5-6,11-16H2,1-2H3
InChIKeyWZCYVSFJOKZXDM-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.66
Rot. Bonds6

About N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide

N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide (PubChem CID 143943928) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide
PubChem CID143943928
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc2c(c1)CCC1(CCCCN1CCc1ccccc1NS(C)(=O)=O)C2=O
InChIInChI=1S/C24H30N2O4S/c1-30-20-9-10-21-19(17-20)11-14-24(23(21)27)13-5-6-15-26(24)16-12-18-7-3-4-8-22(18)25-31(2,28)29/h3-4,7-10,17,25H,5-6,11-16H2,1-2H3
InChIKeyWZCYVSFJOKZXDM-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

(2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 70916524
6-methoxy-1'-[2-(2-methylphenyl)ethyl]spiro[3,4-dihydronaphthalene-2,2'-azepane]-1-one
CID 143943898
6-methoxy-1'-[3-(2-methylphenyl)propyl]spiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 46180947
6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 143943923
N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 168515675
N-[2-[3-(azepan-1-yl)-3-oxopropyl]phenyl]methanesulfonamide
CID 19873410
2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione
CID 67707255
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one
CID 135016415
N-[2-(2-hydroxyethyl)phenyl]methanesulfonamide
CID 117306913
N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536
CID 102052371
CID 102052371

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide (CID 143943928) is N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide is COc1ccc2c(c1)CCC1(CCCCN1CCc1ccccc1NS(C)(=O)=O)C2=O.
What is the InChIKey of N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide?
The InChIKey is WZCYVSFJOKZXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-30-20-9-10-21-19(17-20)11-14-24(23(21)27)13-5-6-15-26(24)16-12-18-7-3-4-8-22(18)25-31(2,28)29/h3-4,7-10,17,25H,5-6,11-16H2,1-2H3.
What are the key properties of N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide?
N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide has a molecular weight of 442.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 143943928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).