N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide

C22H25N3O3S — CID 11611285

IUPACN,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)s2)cc1
InChIInChI=1S/C22H25N3O3S/c1-23(2)20(26)16-5-3-15(4-6-16)18-7-8-19(29-18)25-14-22(28-21(25)27)13-24-11-9-17(22)10-12-24/h3-8,17H,9-14H2,1-2H3/t22-/m1/s1
InChIKeyZYDLJOUHUCBMGD-JOCHJYFZSA-N
MW411.53 g/mol
LogP3.54
Rot. Bonds3

About N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide

N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide (PubChem CID 11611285) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide
PubChem CID11611285
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)s2)cc1
InChIInChI=1S/C22H25N3O3S/c1-23(2)20(26)16-5-3-15(4-6-16)18-7-8-19(29-18)25-14-22(28-21(25)27)13-24-11-9-17(22)10-12-24/h3-8,17H,9-14H2,1-2H3/t22-/m1/s1
InChIKeyZYDLJOUHUCBMGD-JOCHJYFZSA-N
XLogP3.54
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide (CID 11611285) is N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide is CN(C)C(=O)c1ccc(-c2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)s2)cc1.
What is the InChIKey of N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide?
The InChIKey is ZYDLJOUHUCBMGD-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-23(2)20(26)16-5-3-15(4-6-16)18-7-8-19(29-18)25-14-22(28-21(25)27)13-24-11-9-17(22)10-12-24/h3-8,17H,9-14H2,1-2H3/t22-/m1/s1.
What are the key properties of N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide?
N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide has a molecular weight of 411.53 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide is sourced from PubChem (CID 11611285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).