N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide

C17H21NO3S — CID 75501883

IUPACN-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCOC(c1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H21NO3S/c1-18(22(2,19)20)13-14-21-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKeyOXOTXUXQDMCZFX-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.68
Rot. Bonds7

About N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide

N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide (PubChem CID 75501883) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide
PubChem CID75501883
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCOC(c1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H21NO3S/c1-18(22(2,19)20)13-14-21-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKeyOXOTXUXQDMCZFX-UHFFFAOYSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
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2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 14645114
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60501602
N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
CID 76974743
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 171986365
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
N-[2-[2-benzhydryloxyethyl(methyl)amino]ethyl]-N-methyl-3-phenylpropanamide
CID 10598749

Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide (CID 75501883) is N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide is CN(CCOC(c1ccccc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide?
The InChIKey is OXOTXUXQDMCZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-18(22(2,19)20)13-14-21-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3.
What are the key properties of N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide?
N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 75501883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).