benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate

C29H30N2O4S — CID 59674453

IUPACbenzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate
SMILESCS(=O)(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1
InChIInChI=1S/C29H30N2O4S/c1-36(33,34)30-25-13-11-23(12-14-25)27-20-29(19-24-9-5-6-10-26(24)27)15-17-31(18-16-29)28(32)35-21-22-7-3-2-4-8-22/h2-14,20,30H,15-19,21H2,1H3
InChIKeyAAPJFXYUTDRRDK-UHFFFAOYSA-N
MW502.64 g/mol
LogP5.46
Rot. Bonds5

About benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate

benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate (PubChem CID 59674453) has the molecular formula C29H30N2O4S and a molecular weight of 502.64 g/mol. Its IUPAC name is benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate
PubChem CID59674453
Molecular FormulaC29H30N2O4S
Molecular Weight502.64 g/mol
Exact Mass502.19
IUPAC Namebenzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate
SMILESCS(=O)(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1
InChIInChI=1S/C29H30N2O4S/c1-36(33,34)30-25-13-11-23(12-14-25)27-20-29(19-24-9-5-6-10-26(24)27)15-17-31(18-16-29)28(32)35-21-22-7-3-2-4-8-22/h2-14,20,30H,15-19,21H2,1H3
InChIKeyAAPJFXYUTDRRDK-UHFFFAOYSA-N
XLogP5.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.64
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate 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

benzyl 4-(4-acetylphenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate
CID 58423578
benzyl 4-(4-aminophenyl)spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;benzyl 4-[4-(propanoylamino)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate;methane;4-[4-(methylsulfonylmethyl)phenyl]spiro[1H-naphthalene-2,4'-piperidine];bis(nonacosa-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-octacosaene);N-(4-spiro[4H-naphthalene-3,4'-piperidine]-1-ylphenyl)propanamide
CID 157160227
benzyl 4-[4-(methanesulfonamido)benzoyl]piperazine-1-carboxylate
CID 108568481
benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 101123268
benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
CID 59433376
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
CID 167628584
benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate
CID 178067886
benzyl 2-methylsulfonyloxy-7-azaspiro[3.5]nonane-7-carboxylate
CID 86748633
benzyl aziridine-1-carboxylate;silane
CID 158496499

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate (CID 59674453) is benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate is CS(=O)(=O)Nc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)Cc3ccccc32)cc1.
What is the InChIKey of benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is AAPJFXYUTDRRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4S/c1-36(33,34)30-25-13-11-23(12-14-25)27-20-29(19-24-9-5-6-10-26(24)27)15-17-31(18-16-29)28(32)35-21-22-7-3-2-4-8-22/h2-14,20,30H,15-19,21H2,1H3.
What are the key properties of benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate?
benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 502.64 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[4-(methanesulfonamido)phenyl]spiro[1H-naphthalene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 59674453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).