1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one

C24H20Cl2N2O2S — CID 24951862

IUPAC1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C(c1ccc(Cl)s1)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl2N2O2S/c25-17-8-6-16(7-9-17)21-24(23(30)28(21)18-4-2-1-3-5-18)12-14-27(15-13-24)22(29)19-10-11-20(26)31-19/h1-11,21H,12-15H2
InChIKeyKSDIHFIRIGFEHR-UHFFFAOYSA-N
MW471.41 g/mol
LogP6.07
Rot. Bonds3

About 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one

1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 24951862) has the molecular formula C24H20Cl2N2O2S and a molecular weight of 471.41 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID24951862
Molecular FormulaC24H20Cl2N2O2S
Molecular Weight471.41 g/mol
Exact Mass470.06
IUPAC Name1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C(c1ccc(Cl)s1)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl2N2O2S/c25-17-8-6-16(7-9-17)21-24(23(30)28(21)18-4-2-1-3-5-18)12-14-27(15-13-24)22(29)19-10-11-20(26)31-19/h1-11,21H,12-15H2
InChIKeyKSDIHFIRIGFEHR-UHFFFAOYSA-N
XLogP6.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.41
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one with MolForge

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Related Compounds

1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 24956134
1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24951866
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24952584
1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59688484
1-(4-chlorophenyl)-2-(2-fluorophenyl)-7-(3,4,5-trimethoxybenzoyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 24952749
tert-butyl 1-(4-chlorophenyl)-2-(4-methoxycarbonylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 24953807
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
1,2-bis(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 70304123
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 31058355
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one (CID 24951862) is 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one is O=C(c1ccc(Cl)s1)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is KSDIHFIRIGFEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2S/c25-17-8-6-16(7-9-17)21-24(23(30)28(21)18-4-2-1-3-5-18)12-14-27(15-13-24)22(29)19-10-11-20(26)31-19/h1-11,21H,12-15H2.
What are the key properties of 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 471.41 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 24951862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).