N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide

C18H21NOS — CID 118398418

IUPACN-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H21NOS/c20-18(19-13-11-16-7-3-1-4-8-16)15-21-14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,19,20)
InChIKeyJPLWQGKITISHEH-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.32
Rot. Bonds8

About N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide

N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide (PubChem CID 118398418) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
PubChem CID118398418
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H21NOS/c20-18(19-13-11-16-7-3-1-4-8-16)15-21-14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,19,20)
InChIKeyJPLWQGKITISHEH-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylacetate
CID 155944067
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
methyl 3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanoate
CID 60715884
3-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid
CID 43091329
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 30560974
2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide
CID 106164880
N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 65031542
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103769898
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide (CID 118398418) is N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide is O=C(CSCCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide?
The InChIKey is JPLWQGKITISHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c20-18(19-13-11-16-7-3-1-4-8-16)15-21-14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,19,20).
What are the key properties of N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide?
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide has a molecular weight of 299.44 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide is sourced from PubChem (CID 118398418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).