N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide

C14H21NO2S — CID 65031542

IUPACN-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide
SMILESCC(CO)CNC(=O)CSCCc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-12(10-16)9-15-14(17)11-18-8-7-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,15,17)
InChIKeyHVULZJIDFOKMLQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.71
Rot. Bonds8

About N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide

N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide (PubChem CID 65031542) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide
PubChem CID65031542
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide
SMILESCC(CO)CNC(=O)CSCCc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-12(10-16)9-15-14(17)11-18-8-7-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,15,17)
InChIKeyHVULZJIDFOKMLQ-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.71
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

N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103771004
2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide
CID 106164880
N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
CID 65037096
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103769898
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031428
N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 65032139
methyl 3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanoate
CID 60715884
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036205
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802
N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
CID 66107710

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide (CID 65031542) is N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide is CC(CO)CNC(=O)CSCCc1ccccc1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide?
The InChIKey is HVULZJIDFOKMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12(10-16)9-15-14(17)11-18-8-7-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide?
N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide is sourced from PubChem (CID 65031542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).