N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide

C16H18N2O2S — CID 151295883

IUPACN-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCSCc1cccnc1
InChIInChI=1S/C16H18N2O2S/c1-13(19)18-15-6-2-3-7-16(15)20-9-10-21-12-14-5-4-8-17-11-14/h2-8,11H,9-10,12H2,1H3,(H,18,19)
InChIKeyOBJYDSSOLBKXCJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.35
Rot. Bonds7

About N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide

N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide (PubChem CID 151295883) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide
PubChem CID151295883
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCCSCc1cccnc1
InChIInChI=1S/C16H18N2O2S/c1-13(19)18-15-6-2-3-7-16(15)20-9-10-21-12-14-5-4-8-17-11-14/h2-8,11H,9-10,12H2,1H3,(H,18,19)
InChIKeyOBJYDSSOLBKXCJ-UHFFFAOYSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 86830228
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 86830197
N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide
CID 9137754
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55953832
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230
2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline
CID 6478590
N-[2-(2-prop-2-enoxyethoxy)phenyl]acetamide
CID 86096394
N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
3-(benzylsulfanylmethyl)pyridine
CID 3025143

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide (CID 151295883) is N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCCSCc1cccnc1.
What is the InChIKey of N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide?
The InChIKey is OBJYDSSOLBKXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-13(19)18-15-6-2-3-7-16(15)20-9-10-21-12-14-5-4-8-17-11-14/h2-8,11H,9-10,12H2,1H3,(H,18,19).
What are the key properties of N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide?
N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide has a molecular weight of 302.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 151295883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).