2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide

C13H19NO3S — CID 124854548

IUPAC2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(COC[C@@H]1CCCCO1)NCc1ccsc1
InChIInChI=1S/C13H19NO3S/c15-13(14-7-11-4-6-18-10-11)9-16-8-12-3-1-2-5-17-12/h4,6,10,12H,1-3,5,7-9H2,(H,14,15)/t12-/m0/s1
InChIKeyXNMXXDUFRRXGQM-LBPRGKRZSA-N
MW269.37 g/mol
LogP1.95
Rot. Bonds6

About 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide

2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 124854548) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID124854548
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(COC[C@@H]1CCCCO1)NCc1ccsc1
InChIInChI=1S/C13H19NO3S/c15-13(14-7-11-4-6-18-10-11)9-16-8-12-3-1-2-5-17-12/h4,6,10,12H,1-3,5,7-9H2,(H,14,15)/t12-/m0/s1
InChIKeyXNMXXDUFRRXGQM-LBPRGKRZSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)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

1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 102556165
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 91775341
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 125170928
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868315
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91790876
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 124753443
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91829682
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868384
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117751
N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 60976116
2-[[(2S)-oxan-2-yl]methoxy]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 99972011
2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 86284175

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide (CID 124854548) is 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide is O=C(COC[C@@H]1CCCCO1)NCc1ccsc1.
What is the InChIKey of 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is XNMXXDUFRRXGQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO3S/c15-13(14-7-11-4-6-18-10-11)9-16-8-12-3-1-2-5-17-12/h4,6,10,12H,1-3,5,7-9H2,(H,14,15)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide?
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 124854548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).