N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide

C18H21NO5S — CID 9429656

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO5S/c1-19(12-13-24-16-8-6-15(23-2)7-9-16)18(20)14-4-10-17(11-5-14)25(3,21)22/h4-11H,12-13H2,1-3H3
InChIKeyVDQCHJRZJYZHRZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide (PubChem CID 9429656) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
PubChem CID9429656
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO5S/c1-19(12-13-24-16-8-6-15(23-2)7-9-16)18(20)14-4-10-17(11-5-14)25(3,21)22/h4-11H,12-13H2,1-3H3
InChIKeyVDQCHJRZJYZHRZ-UHFFFAOYSA-N
XLogP2.25
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78794109
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 55571429
N-[2-(3,5-dimethylphenoxy)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24517392
N-[2-(4-chlorophenoxy)ethyl]-4-(methoxysulfamoyl)-N-methylbenzamide
CID 55834326
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 31285172
N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26622481
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 31285313

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide (CID 9429656) is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide is COc1ccc(OCCN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide?
The InChIKey is VDQCHJRZJYZHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-19(12-13-24-16-8-6-15(23-2)7-9-16)18(20)14-4-10-17(11-5-14)25(3,21)22/h4-11H,12-13H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide has a molecular weight of 363.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 9429656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).