N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide

C14H22N2O2S — CID 103087507

IUPACN-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide
SMILESCNC(=O)COc1cccc(NCCCCSC)c1
InChIInChI=1S/C14H22N2O2S/c1-15-14(17)11-18-13-7-5-6-12(10-13)16-8-3-4-9-19-2/h5-7,10,16H,3-4,8-9,11H2,1-2H3,(H,15,17)
InChIKeyIJZQISOIGGZAHO-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.37
Rot. Bonds9

About N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide

N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide (PubChem CID 103087507) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide
PubChem CID103087507
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide
SMILESCNC(=O)COc1cccc(NCCCCSC)c1
InChIInChI=1S/C14H22N2O2S/c1-15-14(17)11-18-13-7-5-6-12(10-13)16-8-3-4-9-19-2/h5-7,10,16H,3-4,8-9,11H2,1-2H3,(H,15,17)
InChIKeyIJZQISOIGGZAHO-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
3-(difluoromethoxy)-N-(4-methylsulfanylbutyl)aniline
CID 103087523
4-[3-(4-methylsulfanylbutylamino)phenoxy]butanenitrile
CID 103087818
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
3-(2-methylpropoxy)-N-(3-methylsulfanylpropyl)aniline
CID 54864413
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
CID 43693359
2-[3-(octylamino)phenoxy]acetamide
CID 43720155
N-methyl-2-[3-(2-methylpentylamino)phenoxy]acetamide
CID 43693343
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622
2-[3-[(5-ethylfuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62346867
N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide
CID 103087235

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide?
The IUPAC name of N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide (CID 103087507) is N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide is CNC(=O)COc1cccc(NCCCCSC)c1.
What is the InChIKey of N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide?
The InChIKey is IJZQISOIGGZAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-15-14(17)11-18-13-7-5-6-12(10-13)16-8-3-4-9-19-2/h5-7,10,16H,3-4,8-9,11H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide?
N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(4-methylsulfanylbutylamino)phenoxy]acetamide is sourced from PubChem (CID 103087507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).