N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide

C9H13NO2S — CID 22747828

IUPACN-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide
SMILESCC(=O)NC(CO)Cc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-7(12)10-9(5-11)4-8-2-3-13-6-8/h2-3,6,9,11H,4-5H2,1H3,(H,10,12)
InChIKeyCLWPSXGAJMZNCR-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.79
Rot. Bonds4

About N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide

N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide (PubChem CID 22747828) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide
PubChem CID22747828
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide
SMILESCC(=O)NC(CO)Cc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-7(12)10-9(5-11)4-8-2-3-13-6-8/h2-3,6,9,11H,4-5H2,1H3,(H,10,12)
InChIKeyCLWPSXGAJMZNCR-UHFFFAOYSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Formamido-3-(thiophen-3-yl)propanoic acid
CID 11412969
2-Acetamido-3-(thiophen-3-YL)propanoic acid
CID 321144
Na[1a(Thiophena3ayl)propana2ayl]acetamide
CID 61150679
3-Thiophen-3-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 328216
N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylpropanamide
CID 75430621
1-[(2S)-1-hydroxybutan-2-yl]-3-(2-thiophen-3-ylpropyl)urea
CID 91661697
2,2,2aTrifluoroaNa[1a(thiophena3ayl)propana2ayl]acetamide
CID 62726736
methyl (2R)-2-acetamido-3-thiophen-3-ylpropanoate
CID 21681757
2,2-difluoro-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 103515701
2-(Propanoylamino)-3-thiophen-3-ylpropanoic acid
CID 321164
2-methyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 61150798
N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61150799

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide (CID 22747828) is N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide is CC(=O)NC(CO)Cc1ccsc1.
What is the InChIKey of N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide?
The InChIKey is CLWPSXGAJMZNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(12)10-9(5-11)4-8-2-3-13-6-8/h2-3,6,9,11H,4-5H2,1H3,(H,10,12).
What are the key properties of N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide?
N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide has a molecular weight of 199.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-thiophen-3-ylpropan-2-yl)acetamide is sourced from PubChem (CID 22747828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).