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

C18H21NO3S — CID 78794109

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C18H21NO3S/c1-19(18(20)14-4-10-17(23-3)11-5-14)12-13-22-16-8-6-15(21-2)7-9-16/h4-11H,12-13H2,1-3H3
InChIKeyACOSGLRQUSSIFF-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.57
Rot. Bonds7

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

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide (PubChem CID 78794109) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
PubChem CID78794109
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C18H21NO3S/c1-19(18(20)14-4-10-17(23-3)11-5-14)12-13-22-16-8-6-15(21-2)7-9-16/h4-11H,12-13H2,1-3H3
InChIKeyACOSGLRQUSSIFF-UHFFFAOYSA-N
XLogP3.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9429656
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 31285172
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methoxy-N-methylbenzamide
CID 71571384
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 31285313
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 55571429
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide (CID 78794109) is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide is COc1ccc(OCCN(C)C(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is ACOSGLRQUSSIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-19(18(20)14-4-10-17(23-3)11-5-14)12-13-22-16-8-6-15(21-2)7-9-16/h4-11H,12-13H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 331.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 78794109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).