4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C21H21ClN2O3S — CID 46112830

IUPAC4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cccc(C(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H21ClN2O3S/c1-27-18-4-2-3-15(13-18)20(26)23-11-9-21(10-12-23)24(19(25)14-28-21)17-7-5-16(22)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyQQASNCGRIRVQHZ-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.06
Rot. Bonds3

About 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46112830) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46112830
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC Name4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cccc(C(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H21ClN2O3S/c1-27-18-4-2-3-15(13-18)20(26)23-11-9-21(10-12-23)24(19(25)14-28-21)17-7-5-16(22)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyQQASNCGRIRVQHZ-UHFFFAOYSA-N
XLogP4.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one 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-(3-chlorobenzoyl)-4-(4-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46113011
4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112907
8-(3,3-dimethylbutanoyl)-4-(3-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 42882872
4-(3-methoxyphenyl)-8-pentanoyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 42882861
4-(4-chlorophenyl)-8-(3,3-dimethylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112815
8-(2-chloro-2-phenylacetyl)-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112912
ethyl 4-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxylate
CID 26325589
4-(4-methoxyphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 134126334
(3-chlorophenyl)-[8-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 3529522
4-(4-chlorophenyl)-8-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112809
N-(4-chlorophenyl)-4-(3-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113142
2-(4-chlorophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 1074737

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46112830) is 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is COc1cccc(C(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QQASNCGRIRVQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-27-18-4-2-3-15(13-18)20(26)23-11-9-21(10-12-23)24(19(25)14-28-21)17-7-5-16(22)6-8-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 416.93 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46112830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).