N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide

C14H18N2O3S — CID 91766795

IUPACN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N[C@@H]1[C@@H](NC(=O)Cc2cccs2)[C@H]2CCO[C@H]21
InChIInChI=1S/C14H18N2O3S/c1-8(17)15-13-12(10-4-5-19-14(10)13)16-11(18)7-9-3-2-6-20-9/h2-3,6,10,12-14H,4-5,7H2,1H3,(H,15,17)(H,16,18)/t10-,12+,13-,14-/m1/s1
InChIKeyGTKMGDNXHZYKOK-YXCITZCRSA-N
MW294.38 g/mol
LogP0.70
Rot. Bonds4

About N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide

N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide (PubChem CID 91766795) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide
PubChem CID91766795
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N[C@@H]1[C@@H](NC(=O)Cc2cccs2)[C@H]2CCO[C@H]21
InChIInChI=1S/C14H18N2O3S/c1-8(17)15-13-12(10-4-5-19-14(10)13)16-11(18)7-9-3-2-6-20-9/h2-3,6,10,12-14H,4-5,7H2,1H3,(H,15,17)(H,16,18)/t10-,12+,13-,14-/m1/s1
InChIKeyGTKMGDNXHZYKOK-YXCITZCRSA-N
XLogP0.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide 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-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide
CID 66210558
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide
CID 91765094
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 79758315
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119458002
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
CID 27235346
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide
CID 100715401
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 91779867
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(2-aminocyclopentyl)-2-thiophen-2-ylacetamide
CID 63251271
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide (CID 91766795) is N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide is CC(=O)N[C@@H]1[C@@H](NC(=O)Cc2cccs2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide?
The InChIKey is GTKMGDNXHZYKOK-YXCITZCRSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-8(17)15-13-12(10-4-5-19-14(10)13)16-11(18)7-9-3-2-6-20-9/h2-3,6,10,12-14H,4-5,7H2,1H3,(H,15,17)(H,16,18)/t10-,12+,13-,14-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide?
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide has a molecular weight of 294.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91766795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).