N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide

C13H19NO4S — CID 91792764

IUPACN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1OCCO
InChIInChI=1S/C13H19NO4S/c15-3-5-18-12-8-17-4-1-11(12)14-13(16)7-10-2-6-19-9-10/h2,6,9,11-12,15H,1,3-5,7-8H2,(H,14,16)/t11-,12-/m1/s1
InChIKeyVZAGGCCHABVJCQ-VXGBXAGGSA-N
MW285.36 g/mol
LogP0.57
Rot. Bonds6

About N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide

N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide (PubChem CID 91792764) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
PubChem CID91792764
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1OCCO
InChIInChI=1S/C13H19NO4S/c15-3-5-18-12-8-17-4-1-11(12)14-13(16)7-10-2-6-19-9-10/h2,6,9,11-12,15H,1,3-5,7-8H2,(H,14,16)/t11-,12-/m1/s1
InChIKeyVZAGGCCHABVJCQ-VXGBXAGGSA-N
XLogP0.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide (CID 91792764) is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1OCCO.
What is the InChIKey of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide?
The InChIKey is VZAGGCCHABVJCQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19NO4S/c15-3-5-18-12-8-17-4-1-11(12)14-13(16)7-10-2-6-19-9-10/h2,6,9,11-12,15H,1,3-5,7-8H2,(H,14,16)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide?
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide has a molecular weight of 285.36 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91792764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).