2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide

C22H21Cl2N3OS — CID 22428784

IUPAC2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)cc1Cl)Nc1ccccc1
InChIInChI=1S/C22H21Cl2N3OS/c23-15-9-10-17(18(24)13-15)20-21(27-22(26-20)11-5-2-6-12-22)29-14-19(28)25-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,25,28)
InChIKeyLOVWNEOSCUDTDD-UHFFFAOYSA-N
MW446.40 g/mol
LogP6.23
Rot. Bonds4

About 2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide

2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 22428784) has the molecular formula C22H21Cl2N3OS and a molecular weight of 446.40 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide
PubChem CID22428784
Molecular FormulaC22H21Cl2N3OS
Molecular Weight446.40 g/mol
Exact Mass445.08
IUPAC Name2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)cc1Cl)Nc1ccccc1
InChIInChI=1S/C22H21Cl2N3OS/c23-15-9-10-17(18(24)13-15)20-21(27-22(26-20)11-5-2-6-12-22)29-14-19(28)25-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,25,28)
InChIKeyLOVWNEOSCUDTDD-UHFFFAOYSA-N
XLogP6.23
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.40
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 22428810
N-(3,4-dichlorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428669
2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide
CID 18592489
2-[[2-(4-chlorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 46246971
2-[[2-(4-chlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 22428621
N-(4-bromophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428706
N-(3-chloro-4-fluorophenyl)-2-[[2-(4-chlorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428644
2-[[2-(4-chlorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 22428620
N-(3-chloro-4-fluorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428895
2-[[2-(4-bromophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 46246985
N-(3,4-dichlorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428871
2-[[2-(4-chlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 22428715

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide (CID 22428784) is 2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide is O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)cc1Cl)Nc1ccccc1.
What is the InChIKey of 2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is LOVWNEOSCUDTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3OS/c23-15-9-10-17(18(24)13-15)20-21(27-22(26-20)11-5-2-6-12-22)29-14-19(28)25-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,25,28).
What are the key properties of 2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide?
2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 446.40 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 22428784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).