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

C23H28N2O5S2 — CID 11113547

IUPACN-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCN(CCOc1cccc2ccccc12)CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1
InChIInChI=1S/C23H28N2O5S2/c1-24(17-18-30-23-10-6-8-20-7-4-5-9-22(20)23)16-15-19-11-13-21(14-12-19)25(31(2,26)27)32(3,28)29/h4-14H,15-18H2,1-3H3
InChIKeyVYHVWQNDXKISEQ-UHFFFAOYSA-N
MW476.62 g/mol
LogP3.12
Rot. Bonds10

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

N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide (PubChem CID 11113547) has the molecular formula C23H28N2O5S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
PubChem CID11113547
Molecular FormulaC23H28N2O5S2
Molecular Weight476.62 g/mol
Exact Mass476.14
IUPAC NameN-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCN(CCOc1cccc2ccccc12)CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1
InChIInChI=1S/C23H28N2O5S2/c1-24(17-18-30-23-10-6-8-20-7-4-5-9-22(20)23)16-15-19-11-13-21(14-12-19)25(31(2,26)27)32(3,28)29/h4-14H,15-18H2,1-3H3
InChIKeyVYHVWQNDXKISEQ-UHFFFAOYSA-N
XLogP3.12
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-prop-2-enylamino]ethyl]phenyl]methanesulfonamide
CID 10983512
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-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 10939880
N-[4-[2-[2-[2-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
CID 14645125
N-[4-[2-[methyl(2-phenoxyethyl)amino]ethyl]phenyl]methanesulfonamide
CID 44308471
N-[4-[2-[benzyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
CID 10984490

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide (CID 11113547) is N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide is CN(CCOc1cccc2ccccc12)CCc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is VYHVWQNDXKISEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S2/c1-24(17-18-30-23-10-6-8-20-7-4-5-9-22(20)23)16-15-19-11-13-21(14-12-19)25(31(2,26)27)32(3,28)29/h4-14H,15-18H2,1-3H3.
What are the key properties of N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 476.62 g/mol, XLogP of 3.12, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[methyl(2-naphthalen-1-yloxyethyl)amino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 11113547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).