2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide

C16H24N2O2S — CID 134064908

IUPAC2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide
SMILESO=C(CSCCN1CCCCCC1)Nc1ccccc1O
InChIInChI=1S/C16H24N2O2S/c19-15-8-4-3-7-14(15)17-16(20)13-21-12-11-18-9-5-1-2-6-10-18/h3-4,7-8,19H,1-2,5-6,9-13H2,(H,17,20)
InChIKeyOLPJGAHJUZNVOK-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.94
Rot. Bonds6

About 2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide

2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide (PubChem CID 134064908) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide
PubChem CID134064908
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide
SMILESO=C(CSCCN1CCCCCC1)Nc1ccccc1O
InChIInChI=1S/C16H24N2O2S/c19-15-8-4-3-7-14(15)17-16(20)13-21-12-11-18-9-5-1-2-6-10-18/h3-4,7-8,19H,1-2,5-6,9-13H2,(H,17,20)
InChIKeyOLPJGAHJUZNVOK-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide
CID 134064612
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 134064400
2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134065021
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 134064781
2-[2-(azepan-1-yl)ethylsulfanyl]-N,N-diphenylacetamide
CID 134064776
2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30752050
N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide?
The IUPAC name of 2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide (CID 134064908) is 2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide is O=C(CSCCN1CCCCCC1)Nc1ccccc1O.
What is the InChIKey of 2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide?
The InChIKey is OLPJGAHJUZNVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-15-8-4-3-7-14(15)17-16(20)13-21-12-11-18-9-5-1-2-6-10-18/h3-4,7-8,19H,1-2,5-6,9-13H2,(H,17,20).
What are the key properties of 2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide?
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 134064908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).