2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide

C16H24N2OS — CID 134064612

IUPAC2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCCN1CCCCCC1)Nc1ccccc1
InChIInChI=1S/C16H24N2OS/c19-16(17-15-8-4-3-5-9-15)14-20-13-12-18-10-6-1-2-7-11-18/h3-5,8-9H,1-2,6-7,10-14H2,(H,17,19)
InChIKeyDIMQRRIFAVTUMQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.23
Rot. Bonds6

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

2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide (PubChem CID 134064612) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide
PubChem CID134064612
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCCN1CCCCCC1)Nc1ccccc1
InChIInChI=1S/C16H24N2OS/c19-16(17-15-8-4-3-5-9-15)14-20-13-12-18-10-6-1-2-7-11-18/h3-5,8-9H,1-2,6-7,10-14H2,(H,17,19)
InChIKeyDIMQRRIFAVTUMQ-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2-hydroxyphenyl)acetamide
CID 134064908
2-(3-oxo-3-piperidin-1-ylpropyl)sulfanyl-N-phenylacetamide
CID 3495529
2-[2-(azepan-1-yl)ethylsulfanyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 134064419
2-[2-(azepan-1-yl)ethylsulfanyl]-N,N-diphenylacetamide
CID 134064776
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 134064400
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
2-[6-[2-(4-anilinoanilino)-2-oxoethyl]sulfanylhexylsulfanyl]-N-(4-anilinophenyl)acetamide
CID 126713457
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-phenyl-2-(piperidin-1-ylamino)acetamide
CID 83014503

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide (CID 134064612) is 2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide is O=C(CSCCN1CCCCCC1)Nc1ccccc1.
What is the InChIKey of 2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide?
The InChIKey is DIMQRRIFAVTUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-16(17-15-8-4-3-5-9-15)14-20-13-12-18-10-6-1-2-7-11-18/h3-5,8-9H,1-2,6-7,10-14H2,(H,17,19).
What are the key properties of 2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide?
2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide has a molecular weight of 292.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-yl)ethylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 134064612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).