3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide

C24H27ClFN3O3S — CID 42748800

IUPAC3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClFN3O3S/c25-19-7-5-17(6-8-19)23(31)29-21(16-33-24(29)18-3-1-4-20(26)15-18)22(30)27-9-2-10-28-11-13-32-14-12-28/h1,3-8,15,21,24H,2,9-14,16H2,(H,27,30)
InChIKeyHEQXVJAGCOBUJR-UHFFFAOYSA-N
MW492.02 g/mol
LogP3.57
Rot. Bonds7

About 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide

3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748800) has the molecular formula C24H27ClFN3O3S and a molecular weight of 492.02 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748800
Molecular FormulaC24H27ClFN3O3S
Molecular Weight492.02 g/mol
Exact Mass491.14
IUPAC Name3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClFN3O3S/c25-19-7-5-17(6-8-19)23(31)29-21(16-33-24(29)18-3-1-4-20(26)15-18)22(30)27-9-2-10-28-11-13-32-14-12-28/h1,3-8,15,21,24H,2,9-14,16H2,(H,27,30)
InChIKeyHEQXVJAGCOBUJR-UHFFFAOYSA-N
XLogP3.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-benzoyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 3741721
N-{2-[(2,4-dichlorobenzyl)thio]ethyl}-4-(4-morpholinylmethyl)benzamide
CID 2914001
N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 6216128
N-[2-(4-chlorophenyl)-2-(morpholin-4-yl)ethyl]-2-fluorobenzamide
CID 16015155
N-[(4-chlorophenyl)methyl]-4-(4-fluorobenzoyl)thiomorpholine-2-carboxamide
CID 16254594
N-(2-(4-Chlorophenyl)-1-(((2-(4-morpholinyl)ethyl)amino)carbonyl)vinyl)benzamide
CID 2873960
N1-benzyl-N2-((3-(4-chlorobenzoyl)oxazolidin-2-yl)methyl)oxalamide
CID 16194962
2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 18136223
2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 25161959
3-chloro-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
CID 25163856
Benzamide, N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-fluoro-
CID 508727
N-{2-[(2-chloro-6-fluorobenzyl)thio]ethyl}-4-(4-morpholinylmethyl)benzamide
CID 2176920

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42748800) is 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCCN1CCOCC1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HEQXVJAGCOBUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O3S/c25-19-7-5-17(6-8-19)23(31)29-21(16-33-24(29)18-3-1-4-20(26)15-18)22(30)27-9-2-10-28-11-13-32-14-12-28/h1,3-8,15,21,24H,2,9-14,16H2,(H,27,30).
What are the key properties of 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 492.02 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).