N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide

C13H18N2O2S — CID 66210558

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide
SMILESNC1C2CCCOC2C1NC(=O)Cc1cccs1
InChIInChI=1S/C13H18N2O2S/c14-11-9-4-1-5-17-13(9)12(11)15-10(16)7-8-3-2-6-18-8/h2-3,6,9,11-13H,1,4-5,7,14H2,(H,15,16)
InChIKeyDNWSFMKJSDSORN-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.91
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide (PubChem CID 66210558) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide
PubChem CID66210558
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide
SMILESNC1C2CCCOC2C1NC(=O)Cc1cccs1
InChIInChI=1S/C13H18N2O2S/c14-11-9-4-1-5-17-13(9)12(11)15-10(16)7-8-3-2-6-18-8/h2-3,6,9,11-13H,1,4-5,7,14H2,(H,15,16)
InChIKeyDNWSFMKJSDSORN-UHFFFAOYSA-N
XLogP0.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide
CID 91766795
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyclopentylpropanamide
CID 66213463
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(2-chlorophenyl)acetamide
CID 66195362
N-(2-aminocyclopentyl)-2-thiophen-2-ylacetamide
CID 63251271
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide
CID 66212695
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpyrazole-3-carboxamide
CID 66212899
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide
CID 82987244
1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 110706626
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 94633542
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
CID 27235346

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide (CID 66210558) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide is NC1C2CCCOC2C1NC(=O)Cc1cccs1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide?
The InChIKey is DNWSFMKJSDSORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-11-9-4-1-5-17-13(9)12(11)15-10(16)7-8-3-2-6-18-8/h2-3,6,9,11-13H,1,4-5,7,14H2,(H,15,16).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide has a molecular weight of 266.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 66210558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).