2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide

C15H23NO2S — CID 103706138

IUPAC2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CSC(C)C(C)O)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-11(14-7-5-4-6-8-14)9-16-15(18)10-19-13(3)12(2)17/h4-8,11-13,17H,9-10H2,1-3H3,(H,16,18)
InChIKeyAOBDHNZQRAGFED-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.41
Rot. Bonds7

About 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide

2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide (PubChem CID 103706138) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
PubChem CID103706138
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CSC(C)C(C)O)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-11(14-7-5-4-6-8-14)9-16-15(18)10-19-13(3)12(2)17/h4-8,11-13,17H,9-10H2,1-3H3,(H,16,18)
InChIKeyAOBDHNZQRAGFED-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 112695519
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
2-phenyl-3-[(2-propan-2-ylsulfanylacetyl)amino]propanoic acid
CID 62884181
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide (CID 103706138) is 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide is CC(CNC(=O)CSC(C)C(C)O)c1ccccc1.
What is the InChIKey of 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide?
The InChIKey is AOBDHNZQRAGFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(14-7-5-4-6-8-14)9-16-15(18)10-19-13(3)12(2)17/h4-8,11-13,17H,9-10H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide?
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 103706138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).