N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide

C9H13NO3S — CID 170829439

IUPACN-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide
SMILESCC(=O)NCC(O)C(O)c1cccs1
InChIInChI=1S/C9H13NO3S/c1-6(11)10-5-7(12)9(13)8-3-2-4-14-8/h2-4,7,9,12-13H,5H2,1H3,(H,10,11)
InChIKeyFHOVIRSCIGDYJA-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.28
Rot. Bonds4

About N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide

N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide (PubChem CID 170829439) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide
PubChem CID170829439
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide
SMILESCC(=O)NCC(O)C(O)c1cccs1
InChIInChI=1S/C9H13NO3S/c1-6(11)10-5-7(12)9(13)8-3-2-4-14-8/h2-4,7,9,12-13H,5H2,1H3,(H,10,11)
InChIKeyFHOVIRSCIGDYJA-UHFFFAOYSA-N
XLogP0.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-(3-amino-2-thiophen-2-ylpropyl)acetamide
CID 46186346
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide
CID 170830402
N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831226
N-[2,3-dihydroxy-3-(2-phenylphenyl)propyl]acetamide
CID 170830860
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide?
The IUPAC name of N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide (CID 170829439) is N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide is CC(=O)NCC(O)C(O)c1cccs1.
What is the InChIKey of N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide?
The InChIKey is FHOVIRSCIGDYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6(11)10-5-7(12)9(13)8-3-2-4-14-8/h2-4,7,9,12-13H,5H2,1H3,(H,10,11).
What are the key properties of N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide?
N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide has a molecular weight of 215.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 170829439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).