N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide

C15H20N2O4S — CID 133268611

IUPACN-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(C)=O
InChIInChI=1S/C15H20N2O4S/c1-7-6-10(20-3)14(22-7)15(19)17-11-9-4-5-21-13(9)12(11)16-8(2)18/h6,9,11-13H,4-5H2,1-3H3,(H,16,18)(H,17,19)/t9-,11+,12-,13-/m0/s1
InChIKeyBENBQADDROBLJW-RYDUCSDGSA-N
MW324.40 g/mol
LogP1.09
Rot. Bonds4

About N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide

N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 133268611) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID133268611
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(C)=O
InChIInChI=1S/C15H20N2O4S/c1-7-6-10(20-3)14(22-7)15(19)17-11-9-4-5-21-13(9)12(11)16-8(2)18/h6,9,11-13H,4-5H2,1-3H3,(H,16,18)(H,17,19)/t9-,11+,12-,13-/m0/s1
InChIKeyBENBQADDROBLJW-RYDUCSDGSA-N
XLogP1.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methoxyphenyl)acetamide
CID 91798171
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide
CID 91766543
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 91764327
3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724
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
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide
CID 91766795
3-methoxy-5-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119428596
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-8-chloro-2-methylquinoline-4-carboxamide
CID 91782509
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 99938378
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 133266590
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide
CID 91765094
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 133267242

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide (CID 133268611) is N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide is COc1cc(C)sc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(C)=O.
What is the InChIKey of N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is BENBQADDROBLJW-RYDUCSDGSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-7-6-10(20-3)14(22-7)15(19)17-11-9-4-5-21-13(9)12(11)16-8(2)18/h6,9,11-13H,4-5H2,1-3H3,(H,16,18)(H,17,19)/t9-,11+,12-,13-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide?
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methoxy-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 133268611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).