(1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C19H20N2O4S — CID 155552226

IUPAC(1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]1O2
InChIInChI=1S/C19H20N2O4S/c22-19(20-14-7-3-1-4-8-14)17-11-15-12-21(13-18(17)25-15)26(23,24)16-9-5-2-6-10-16/h1-10,15,17-18H,11-13H2,(H,20,22)/t15-,17-,18-/m0/s1
InChIKeyNQAIMSVLFWTVQJ-SZMVWBNQSA-N
MW372.45 g/mol
LogP2.10
Rot. Bonds4

About (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

(1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 155552226) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID155552226
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]1O2
InChIInChI=1S/C19H20N2O4S/c22-19(20-14-7-3-1-4-8-14)17-11-15-12-21(13-18(17)25-15)26(23,24)16-9-5-2-6-10-16/h1-10,15,17-18H,11-13H2,(H,20,22)/t15-,17-,18-/m0/s1
InChIKeyNQAIMSVLFWTVQJ-SZMVWBNQSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 155552226) is (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is O=C(Nc1ccccc1)[C@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]1O2.
What is the InChIKey of (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is NQAIMSVLFWTVQJ-SZMVWBNQSA-N. The full InChI is InChI=1S/C19H20N2O4S/c22-19(20-14-7-3-1-4-8-14)17-11-15-12-21(13-18(17)25-15)26(23,24)16-9-5-2-6-10-16/h1-10,15,17-18H,11-13H2,(H,20,22)/t15-,17-,18-/m0/s1.
What are the key properties of (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
(1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-3-(benzenesulfonyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 155552226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).