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

C19H25Cl2N3O2S — CID 42775612

IUPACN-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCC(C)NC(=O)C1CSC2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)N1
InChIInChI=1S/C19H25Cl2N3O2S/c1-3-12(2)22-17(25)16-11-27-19(23-16)6-8-24(9-7-19)18(26)14-5-4-13(20)10-15(14)21/h4-5,10,12,16,23H,3,6-9,11H2,1-2H3,(H,22,25)
InChIKeyXETLZMVRYBELGK-UHFFFAOYSA-N
MW430.40 g/mol
LogP3.55
Rot. Bonds4

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

N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 42775612) has the molecular formula C19H25Cl2N3O2S and a molecular weight of 430.40 g/mol. Its IUPAC name is N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID42775612
Molecular FormulaC19H25Cl2N3O2S
Molecular Weight430.40 g/mol
Exact Mass429.10
IUPAC NameN-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCC(C)NC(=O)C1CSC2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)N1
InChIInChI=1S/C19H25Cl2N3O2S/c1-3-12(2)22-17(25)16-11-27-19(23-16)6-8-24(9-7-19)18(26)14-5-4-13(20)10-15(14)21/h4-5,10,12,16,23H,3,6-9,11H2,1-2H3,(H,22,25)
InChIKeyXETLZMVRYBELGK-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42775796
N-butan-2-yl-8-(3-methylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 4013988
N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46024308
8-(cyclobutanecarbonyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42774139
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
(3R)-N-[(2S)-butan-2-yl]-8-(3-chlorobenzoyl)-1-thia-8-aza-4-azoniaspiro[4.5]decane-3-carboxamide
CID 7415000
4-(2,4-dichlorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811718
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 111105857
1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251616
2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119281994
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 42775612) is N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is CCC(C)NC(=O)C1CSC2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)N1.
What is the InChIKey of N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is XETLZMVRYBELGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2S/c1-3-12(2)22-17(25)16-11-27-19(23-16)6-8-24(9-7-19)18(26)14-5-4-13(20)10-15(14)21/h4-5,10,12,16,23H,3,6-9,11H2,1-2H3,(H,22,25).
What are the key properties of N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-8-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42775612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).