8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

C19H25Cl2N3O2S — CID 42775796

IUPAC8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)CNC(=O)C1CSC2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)N1
InChIInChI=1S/C19H25Cl2N3O2S/c1-12(2)10-22-17(25)16-11-27-19(23-16)5-7-24(8-6-19)18(26)14-4-3-13(20)9-15(14)21/h3-4,9,12,16,23H,5-8,10-11H2,1-2H3,(H,22,25)
InChIKeyIPPXIKNPCQOOPA-UHFFFAOYSA-N
MW430.40 g/mol
LogP3.40
Rot. Bonds4

About 8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 42775796) has the molecular formula C19H25Cl2N3O2S and a molecular weight of 430.40 g/mol. Its IUPAC name is 8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID42775796
Molecular FormulaC19H25Cl2N3O2S
Molecular Weight430.40 g/mol
Exact Mass429.10
IUPAC Name8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(C)CNC(=O)C1CSC2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)N1
InChIInChI=1S/C19H25Cl2N3O2S/c1-12(2)10-22-17(25)16-11-27-19(23-16)5-7-24(8-6-19)18(26)14-4-3-13(20)9-15(14)21/h3-4,9,12,16,23H,5-8,10-11H2,1-2H3,(H,22,25)
InChIKeyIPPXIKNPCQOOPA-UHFFFAOYSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
CID 2468467
4-chloro-N-(2-oxothiolan-3-yl)benzamide
CID 2769118
(S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11336016
2,6-dichloro-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide
CID 155568148
2,4-dichloro-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2128346
N-[1-(tert-butylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 4876255
2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 5195773
N-[1-(4-benzhydrylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 24677706
2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
CID 25163051
2,4-dichloro-N-[1-[[2-(dimethylamino)-2-(2-thienyl)ethyl]carbamoyl]-3-(methylthio)propyl]benzamide
CID 25163768
N-[4-((S)-1-Amino-2-oxo-2-thiazolidin-3-yl-ethyl)-cyclohexyl]-3,4-dichloro-benzamide
CID 44360910
N-[[1-[4-[(2R)-2-(3-aminopropanoylamino)-3-(2,4-dichlorophenyl)propanoyl]piperazin-1-yl]cyclohexyl]methyl]thiophene-2-carboxamide
CID 44397195

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 42775796) is 8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is CC(C)CNC(=O)C1CSC2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)N1.
What is the InChIKey of 8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is IPPXIKNPCQOOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2S/c1-12(2)10-22-17(25)16-11-27-19(23-16)5-7-24(8-6-19)18(26)14-4-3-13(20)9-15(14)21/h3-4,9,12,16,23H,5-8,10-11H2,1-2H3,(H,22,25).
What are the key properties of 8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42775796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).