N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide

C15H23NO2S — CID 43572938

IUPACN-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CSCCc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-13(2)16(9-10-17)15(18)12-19-11-8-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3
InChIKeyIJMDEFKAMKUVFO-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.19
Rot. Bonds8

About N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide

N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide (PubChem CID 43572938) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide
PubChem CID43572938
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CSCCc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-13(2)16(9-10-17)15(18)12-19-11-8-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3
InChIKeyIJMDEFKAMKUVFO-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide (CID 43572938) is N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)CSCCc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide?
The InChIKey is IJMDEFKAMKUVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13(2)16(9-10-17)15(18)12-19-11-8-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide?
N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide has a molecular weight of 281.42 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43572938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).