N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride

C23H26ClN3O4S — CID 21465472

IUPACN-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc(C#N)cc3)CC1)O2.Cl
InChIInChI=1S/C23H25N3O4S.ClH/c1-31(28,29)25-19-6-7-22-20(14-19)21(27)15-23(30-22)9-12-26(13-10-23)11-8-17-2-4-18(16-24)5-3-17;/h2-7,14,25H,8-13,15H2,1H3;1H
InChIKeyNIXLVHJUBZMPSI-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.39
Rot. Bonds5

About N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride

N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride (PubChem CID 21465472) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
PubChem CID21465472
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC NameN-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc(C#N)cc3)CC1)O2.Cl
InChIInChI=1S/C23H25N3O4S.ClH/c1-31(28,29)25-19-6-7-22-20(14-19)21(27)15-23(30-22)9-12-26(13-10-23)11-8-17-2-4-18(16-24)5-3-17;/h2-7,14,25H,8-13,15H2,1H3;1H
InChIKeyNIXLVHJUBZMPSI-UHFFFAOYSA-N
XLogP3.39
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride (CID 21465472) is N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccc(C#N)cc3)CC1)O2.Cl.
What is the InChIKey of N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride?
The InChIKey is NIXLVHJUBZMPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S.ClH/c1-31(28,29)25-19-6-7-22-20(14-19)21(27)15-23(30-22)9-12-26(13-10-23)11-8-17-2-4-18(16-24)5-3-17;/h2-7,14,25H,8-13,15H2,1H3;1H.
What are the key properties of N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride?
N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride has a molecular weight of 476.00 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-[2-(4-cyanophenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 21465472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).