2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one

C17H16N2O2S — CID 137455819

IUPAC2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CN(C(=O)c3ccc(-c4ccccc4)s3)C2)N1
InChIInChI=1S/C17H16N2O2S/c20-15-8-9-17(18-15)10-19(11-17)16(21)14-7-6-13(22-14)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,18,20)
InChIKeyKKJUPGOWLQVKPU-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.52
Rot. Bonds2

About 2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one

2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 137455819) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
PubChem CID137455819
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CN(C(=O)c3ccc(-c4ccccc4)s3)C2)N1
InChIInChI=1S/C17H16N2O2S/c20-15-8-9-17(18-15)10-19(11-17)16(21)14-7-6-13(22-14)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,18,20)
InChIKeyKKJUPGOWLQVKPU-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3-phenyl-1-benzothiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137455907
2-(3-chloro-6-phenyl-1-benzothiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137468546
2-[3-chloro-6-(3-chlorophenyl)-1-benzothiophene-2-carbonyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137455904
2-(6-fluoro-1-benzothiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137456087
2-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137456122
2-[3-chloro-5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137456055
2-[4-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137455959
2-[3-chloro-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137456004
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950930
2-[3-chloro-6-(4-chlorophenyl)-1-benzothiophene-2-carbonyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137455932
2-[4-[3-(1,1-difluoro-2-methylprop-2-enoxy)phenyl]benzoyl]-2,5-diazaspiro[3.4]octan-6-one
CID 137468500

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one (CID 137455819) is 2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one is O=C1CCC2(CN(C(=O)c3ccc(-c4ccccc4)s3)C2)N1.
What is the InChIKey of 2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is KKJUPGOWLQVKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-15-8-9-17(18-15)10-19(11-17)16(21)14-7-6-13(22-14)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,18,20).
What are the key properties of 2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one?
2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 312.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylthiophene-2-carbonyl)-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137455819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).