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

C19H21N3O2S — CID 118739703

IUPACN-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C19H21N3O2S/c23-17-10-19(14-22(17)16-6-9-25-12-16)7-8-21(13-19)18(24)20-11-15-4-2-1-3-5-15/h1-6,9,12H,7-8,10-11,13-14H2,(H,20,24)
InChIKeyPHPPHYOWEVROEX-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.09
Rot. Bonds3

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

N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 118739703) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID118739703
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C19H21N3O2S/c23-17-10-19(14-22(17)16-6-9-25-12-16)7-8-21(13-19)18(24)20-11-15-4-2-1-3-5-15/h1-6,9,12H,7-8,10-11,13-14H2,(H,20,24)
InChIKeyPHPPHYOWEVROEX-UHFFFAOYSA-N
XLogP3.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 2998754
N1-(4-Methylphenyl)-N2-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3219699
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
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
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide
CID 42959536
1-Methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
CID 71868574
(3aR,6aS)-2-[(4-fluorophenyl)methyl]-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97376783
N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739321
3-oxo-N-phenyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739322
N-[(3-fluorophenyl)methyl]-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739704

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide (CID 118739703) is N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide is O=C(NCc1ccccc1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1.
What is the InChIKey of N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is PHPPHYOWEVROEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17-10-19(14-22(17)16-6-9-25-12-16)7-8-21(13-19)18(24)20-11-15-4-2-1-3-5-15/h1-6,9,12H,7-8,10-11,13-14H2,(H,20,24).
What are the key properties of N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 118739703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).