N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

C19H20N2O2S — CID 53184754

IUPACN-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
SMILESO=C(N[C@H]1C[C@@H]2C[C@H]1N(C(=O)Cc1cccs1)C2)c1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-18(11-15-7-4-8-24-15)21-12-13-9-16(17(21)10-13)20-19(23)14-5-2-1-3-6-14/h1-8,13,16-17H,9-12H2,(H,20,23)/t13-,16+,17-/m1/s1
InChIKeyNBZWSCDWYLPPSA-XOKHGSTOSA-N
MW340.45 g/mol
LogP2.71
Rot. Bonds4

About N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide

N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide (PubChem CID 53184754) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
PubChem CID53184754
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
SMILESO=C(N[C@H]1C[C@@H]2C[C@H]1N(C(=O)Cc1cccs1)C2)c1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-18(11-15-7-4-8-24-15)21-12-13-9-16(17(21)10-13)20-19(23)14-5-2-1-3-6-14/h1-8,13,16-17H,9-12H2,(H,20,23)/t13-,16+,17-/m1/s1
InChIKeyNBZWSCDWYLPPSA-XOKHGSTOSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156601577
N-[(1R,4R,6S)-2-(2-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184790
6-benzamido-N-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601976
6-benzamido-N-(1,3-benzodioxol-5-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601988
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 91903403
(2S,4R)-4-hydroxy-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid
CID 30118146
1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
CID 97320577
(1S,2S,5R)-3-(2-thiophen-2-ylacetyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 11877878
phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
CID 110820702
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The IUPAC name of N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide (CID 53184754) is N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide.
What is the SMILES notation for N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The canonical SMILES for N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide is O=C(N[C@H]1C[C@@H]2C[C@H]1N(C(=O)Cc1cccs1)C2)c1ccccc1.
What is the InChIKey of N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
The InChIKey is NBZWSCDWYLPPSA-XOKHGSTOSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(11-15-7-4-8-24-15)21-12-13-9-16(17(21)10-13)20-19(23)14-5-2-1-3-6-14/h1-8,13,16-17H,9-12H2,(H,20,23)/t13-,16+,17-/m1/s1.
What are the key properties of N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide?
N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide has a molecular weight of 340.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R,6S)-2-(2-thiophen-2-ylacetyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide is sourced from PubChem (CID 53184754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).