2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide

C13H19NO2S — CID 43392397

IUPAC2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CSCCO)cc1
InChIInChI=1S/C13H19NO2S/c1-10(2)11-3-5-12(6-4-11)14-13(16)9-17-8-7-15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyKKQNNMGRJGQQOX-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.47
Rot. Bonds6

About 2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide

2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 43392397) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID43392397
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CSCCO)cc1
InChIInChI=1S/C13H19NO2S/c1-10(2)11-3-5-12(6-4-11)14-13(16)9-17-8-7-15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyKKQNNMGRJGQQOX-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyanomethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 47166085
2-amino-4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylbutanoic acid
CID 60919629
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
2-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 52736699
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 66216878
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100523985
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide (CID 43392397) is 2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CSCCO)cc1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is KKQNNMGRJGQQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(2)11-3-5-12(6-4-11)14-13(16)9-17-8-7-15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 43392397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).