N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide

C12H17NO3S — CID 54897792

IUPACN-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H17NO3S/c1-16-5-6-17-9-12(15)13-11-4-2-3-10(7-11)8-14/h2-4,7,14H,5-6,8-9H2,1H3,(H,13,15)
InChIKeyUOAVLJJXYLPISY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.50
Rot. Bonds7

About N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide

N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 54897792) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID54897792
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H17NO3S/c1-16-5-6-17-9-12(15)13-11-4-2-3-10(7-11)8-14/h2-4,7,14H,5-6,8-9H2,1H3,(H,13,15)
InChIKeyUOAVLJJXYLPISY-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.50
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-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
methyl 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoate
CID 43423614
N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
CID 113375207
2-chloro-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoic acid
CID 61398427
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide
CID 33288226
[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]phosphonic acid
CID 54125815
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 51077098
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
N-(3-cyanophenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446104

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide (CID 54897792) is N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide is COCCSCC(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is UOAVLJJXYLPISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-16-5-6-17-9-12(15)13-11-4-2-3-10(7-11)8-14/h2-4,7,14H,5-6,8-9H2,1H3,(H,13,15).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide?
N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 255.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 54897792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).