3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

C17H23NO5S — CID 133265760

IUPAC3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
SMILESCOC[C@H]1[C@@H](NC(=O)CCS(=O)(=O)c2ccccc2)[C@H]2CCO[C@H]21
InChIInChI=1S/C17H23NO5S/c1-22-11-14-16(13-7-9-23-17(13)14)18-15(19)8-10-24(20,21)12-5-3-2-4-6-12/h2-6,13-14,16-17H,7-11H2,1H3,(H,18,19)/t13-,14+,16+,17-/m1/s1
InChIKeyPZFBPXGUKLNEPJ-YQFWSFKMSA-N
MW353.44 g/mol
LogP1.02
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (PubChem CID 133265760) has the molecular formula C17H23NO5S and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
PubChem CID133265760
Molecular FormulaC17H23NO5S
Molecular Weight353.44 g/mol
Exact Mass353.13
IUPAC Name3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
SMILESCOC[C@H]1[C@@H](NC(=O)CCS(=O)(=O)c2ccccc2)[C@H]2CCO[C@H]21
InChIInChI=1S/C17H23NO5S/c1-22-11-14-16(13-7-9-23-17(13)14)18-15(19)8-10-24(20,21)12-5-3-2-4-6-12/h2-6,13-14,16-17H,7-11H2,1H3,(H,18,19)/t13-,14+,16+,17-/m1/s1
InChIKeyPZFBPXGUKLNEPJ-YQFWSFKMSA-N
XLogP1.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-4-oxobutanoic acid
CID 133268560
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-thiophen-3-ylpropanamide
CID 91784616
2-indol-1-yl-N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268436
2-(2-chloro-6-fluorophenyl)-N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91771862
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 154903276
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268279
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 91771508
1-(2-chloro-6-methylphenyl)-3-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 133268728
N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 91785057
N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 133268786
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)butanamide
CID 133265667
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 91789747

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (CID 133265760) is 3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is COC[C@H]1[C@@H](NC(=O)CCS(=O)(=O)c2ccccc2)[C@H]2CCO[C@H]21.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The InChIKey is PZFBPXGUKLNEPJ-YQFWSFKMSA-N. The full InChI is InChI=1S/C17H23NO5S/c1-22-11-14-16(13-7-9-23-17(13)14)18-15(19)8-10-24(20,21)12-5-3-2-4-6-12/h2-6,13-14,16-17H,7-11H2,1H3,(H,18,19)/t13-,14+,16+,17-/m1/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide has a molecular weight of 353.44 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is sourced from PubChem (CID 133265760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).