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

C22H26N2O3S — CID 11825487

IUPACN-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCOc1cccc2ccccc12)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C22H26N2O3S/c1-24(15-14-18-10-12-20(13-11-18)23-28(2,25)26)16-17-27-22-9-5-7-19-6-3-4-8-21(19)22/h3-13,23H,14-17H2,1-2H3
InChIKeyYSMSXHQJWPJVJJ-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.76
Rot. Bonds9

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

N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide (PubChem CID 11825487) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide
PubChem CID11825487
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCOc1cccc2ccccc12)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C22H26N2O3S/c1-24(15-14-18-10-12-20(13-11-18)23-28(2,25)26)16-17-27-22-9-5-7-19-6-3-4-8-21(19)22/h3-13,23H,14-17H2,1-2H3
InChIKeyYSMSXHQJWPJVJJ-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.76
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-[4-(methanesulfonamido)phenoxy]ethyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
CID 11734297
N-[4-[2-[2-naphthalen-1-yloxyethyl(prop-2-enyl)amino]ethyl]phenyl]methanesulfonamide
CID 11761673
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-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide (CID 11825487) is N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide is CN(CCOc1cccc2ccccc12)CCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is YSMSXHQJWPJVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-24(15-14-18-10-12-20(13-11-18)23-28(2,25)26)16-17-27-22-9-5-7-19-6-3-4-8-21(19)22/h3-13,23H,14-17H2,1-2H3.
What are the key properties of N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11825487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).