2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide

C14H21NO2S — CID 112695519

IUPAC2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
SMILESCC(CO)SCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-11(13-6-4-3-5-7-13)8-15-14(17)10-18-12(2)9-16/h3-7,11-12,16H,8-10H2,1-2H3,(H,15,17)
InChIKeyAZUSPOOHEVSPSF-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.02
Rot. Bonds7

About 2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide

2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide (PubChem CID 112695519) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
PubChem CID112695519
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
SMILESCC(CO)SCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-11(13-6-4-3-5-7-13)8-15-14(17)10-18-12(2)9-16/h3-7,11-12,16H,8-10H2,1-2H3,(H,15,17)
InChIKeyAZUSPOOHEVSPSF-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 103706138
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
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-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
N-(2-phenylpropyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134423
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7977632

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide (CID 112695519) is 2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide is CC(CO)SCC(=O)NCC(C)c1ccccc1.
What is the InChIKey of 2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide?
The InChIKey is AZUSPOOHEVSPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(13-6-4-3-5-7-13)8-15-14(17)10-18-12(2)9-16/h3-7,11-12,16H,8-10H2,1-2H3,(H,15,17).
What are the key properties of 2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide?
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 112695519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).