3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide

C18H19N3O2S — CID 118739322

IUPAC3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C18H19N3O2S/c22-16-10-18(13-21(16)15-6-9-24-11-15)7-8-20(12-18)17(23)19-14-4-2-1-3-5-14/h1-6,9,11H,7-8,10,12-13H2,(H,19,23)
InChIKeyYELHLASTPDQEKZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.41
Rot. Bonds2

About 3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide

3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 118739322) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID118739322
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C18H19N3O2S/c22-16-10-18(13-21(16)15-6-9-24-11-15)7-8-20(12-18)17(23)19-14-4-2-1-3-5-14/h1-6,9,11H,7-8,10,12-13H2,(H,19,23)
InChIKeyYELHLASTPDQEKZ-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine-1,3-dicarboxylic acid 1-phenylamide 3-[(thiophen-2-ylmethyl)-amide]
CID 3222834
Pyrrolidine-1,2-dicarboxylic acid 1-phenylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 649454
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230247
5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 654468
N1-(4-Methylphenyl)-N2-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3219699
Pyrrolidine-1,2-dicarboxylic acid 1-[(4-fluoro-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3219648
Pyrrolidine-1,2-dicarboxylic acid 2-[(thiophen-2-ylmethyl)-amide] 1-m-tolylamide
CID 3230197
2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
2-Oxo-1-phenylpyrrolidine-3-carboxylic acid (2-thiophen-2-ylethyl)amide
CID 20964219
Pyrrolidine-1,2-dicarboxylic acid 2-[(thiophen-2-ylmethyl)-amide] 1-o-tolylamide
CID 3230182
1-((1-(4-Fluorophenyl)-5-oxopyrrolidin-3-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 16920104
N1-(4-Fluorophenyl)-N3-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 24792397

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of 3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide (CID 118739322) is 3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for 3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for 3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide is O=C(Nc1ccccc1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1.
What is the InChIKey of 3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is YELHLASTPDQEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16-10-18(13-21(16)15-6-9-24-11-15)7-8-20(12-18)17(23)19-14-4-2-1-3-5-14/h1-6,9,11H,7-8,10,12-13H2,(H,19,23).
What are the key properties of 3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 118739322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).