3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

C19H22N2O2S — CID 52948719

IUPAC3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESNC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3Cc2cccs2)c1
InChIInChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17?
InChIKeyKNKVLWDIKQGTIB-FKEKPDDDSA-N
MW342.46 g/mol
LogP3.42
Rot. Bonds5

About 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52948719) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52948719
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESNC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3Cc2cccs2)c1
InChIInChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17?
InChIKeyKNKVLWDIKQGTIB-FKEKPDDDSA-N
XLogP3.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide with MolForge

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Related Compounds

AZ-Mtab, >=98% (hplc)
CID 49765077
N-Ethyl-4-[(3-methoxy-phenyl)-(8-thiophen-2-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44306787
3-[[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 49865733
Endo-3-(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yloxy)benzamide
CID 52941462
3-[[(1R,5S)-8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 52943162
3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 52945588
1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 68227454
3-methoxy-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3242103
3-methoxy-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]benzamide
CID 3974082
3-Methoxy-N-[1-(morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]benzamide
CID 6710488
1-[4-(Methylthio)benzyl]-4-[3-(1-pyrrolidinylcarbonyl)phenoxy]piperidine
CID 24817150
3-[[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-fluorobenzamide
CID 49865919

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52948719) is 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is NC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3Cc2cccs2)c1.
What is the InChIKey of 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is KNKVLWDIKQGTIB-FKEKPDDDSA-N. The full InChI is InChI=1S/C19H22N2O2S/c20-19(22)13-3-1-4-16(9-13)23-17-10-14-6-7-15(11-17)21(14)12-18-5-2-8-24-18/h1-5,8-9,14-15,17H,6-7,10-12H2,(H2,20,22)/t14-,15+,17?.
What are the key properties of 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 342.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52948719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).