N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide

C28H30N2O3S — CID 11733459

IUPACN-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCN(CCOc2cccc3ccccc23)Cc2ccccc2)cc1
InChIInChI=1S/C28H30N2O3S/c1-34(31,32)29-26-16-14-23(15-17-26)18-19-30(22-24-8-3-2-4-9-24)20-21-33-28-13-7-11-25-10-5-6-12-27(25)28/h2-17,29H,18-22H2,1H3
InChIKeyPRDICRPYXBFEQM-UHFFFAOYSA-N
MW474.63 g/mol
LogP5.34
Rot. Bonds11

About N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide (PubChem CID 11733459) has the molecular formula C28H30N2O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide
PubChem CID11733459
Molecular FormulaC28H30N2O3S
Molecular Weight474.63 g/mol
Exact Mass474.20
IUPAC NameN-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCN(CCOc2cccc3ccccc23)Cc2ccccc2)cc1
InChIInChI=1S/C28H30N2O3S/c1-34(31,32)29-26-16-14-23(15-17-26)18-19-30(22-24-8-3-2-4-9-24)20-21-33-28-13-7-11-25-10-5-6-12-27(25)28/h2-17,29H,18-22H2,1H3
InChIKeyPRDICRPYXBFEQM-UHFFFAOYSA-N
XLogP5.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dofetilide
CID 71329
Cpu-228
CID 10025495
N-[4-[2-[benzyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 10006804
N-[(2S,3R)-2-amino-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-8-yl]methanesulfonamide
CID 130392003
N-[4-[2-[benzyl-[(2-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
CID 10862804
N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-prop-2-enylamino]ethyl]phenyl]methanesulfonamide
CID 10983512
N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
CID 11113547
N-[4-[2-[bis[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 11125100
N-[4-[2-[2-naphthalen-1-yloxyethyl(prop-2-enyl)amino]ethyl]phenyl]methanesulfonamide
CID 11761673
N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide
CID 11825487
N-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]methanesulfonamide
CID 90335273
N-[2-amino-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-8-yl]methanesulfonamide
CID 132069281

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide (CID 11733459) is N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CCN(CCOc2cccc3ccccc23)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is PRDICRPYXBFEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3S/c1-34(31,32)29-26-16-14-23(15-17-26)18-19-30(22-24-8-3-2-4-9-24)20-21-33-28-13-7-11-25-10-5-6-12-27(25)28/h2-17,29H,18-22H2,1H3.
What are the key properties of N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 474.63 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11733459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).