2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide

C14H22N2O2S — CID 103087575

IUPAC2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(NCCCCSC)cc1
InChIInChI=1S/C14H22N2O2S/c1-18-11-14(17)16-13-7-5-12(6-8-13)15-9-3-4-10-19-2/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyVREYRRHQUUNRQO-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.83
Rot. Bonds9

About 2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide

2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide (PubChem CID 103087575) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide
PubChem CID103087575
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(NCCCCSC)cc1
InChIInChI=1S/C14H22N2O2S/c1-18-11-14(17)16-13-7-5-12(6-8-13)15-9-3-4-10-19-2/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyVREYRRHQUUNRQO-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

4-methoxy-N-(4-methylsulfanylbutyl)aniline
CID 103087220
1-methyl-3-[4-(3-methylsulfanylpropylamino)phenyl]urea
CID 43744307
4-(4-methylsulfanylbutylamino)benzamide
CID 103087176
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide
CID 28660474
2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
CID 177288026
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
N-[4-[(4-hydroxyphenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717389
N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087677
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
N-(4-methylsulfanylbutyl)-4-propan-2-yloxyaniline
CID 103087329

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide (CID 103087575) is 2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide is COCC(=O)Nc1ccc(NCCCCSC)cc1.
What is the InChIKey of 2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide?
The InChIKey is VREYRRHQUUNRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-18-11-14(17)16-13-7-5-12(6-8-13)15-9-3-4-10-19-2/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide?
2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide is sourced from PubChem (CID 103087575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).