3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide

C22H32ClN3O3S — CID 5021441

IUPAC3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCC1SCC(C(=O)NCCN2CCOCC2)N1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C22H32ClN3O3S/c1-2-3-4-8-20-26(22(28)17-6-5-7-18(23)15-17)19(16-30-20)21(27)24-9-10-25-11-13-29-14-12-25/h5-7,15,19-20H,2-4,8-14,16H2,1H3,(H,24,27)
InChIKeyONXSNQGLGCMAAW-UHFFFAOYSA-N
MW454.04 g/mol
LogP3.25
Rot. Bonds9

About 3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide

3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide (PubChem CID 5021441) has the molecular formula C22H32ClN3O3S and a molecular weight of 454.04 g/mol. Its IUPAC name is 3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
PubChem CID5021441
Molecular FormulaC22H32ClN3O3S
Molecular Weight454.04 g/mol
Exact Mass453.19
IUPAC Name3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCC1SCC(C(=O)NCCN2CCOCC2)N1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C22H32ClN3O3S/c1-2-3-4-8-20-26(22(28)17-6-5-7-18(23)15-17)19(16-30-20)21(27)24-9-10-25-11-13-29-14-12-25/h5-7,15,19-20H,2-4,8-14,16H2,1H3,(H,24,27)
InChIKeyONXSNQGLGCMAAW-UHFFFAOYSA-N
XLogP3.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.04
LogP ≤ 53.25
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
3-chloro-N-(2-(morpholin-4-yl)ethyl)benzamide
CID 669179
3-chloro-N-(2-oxothiolan-3-yl)benzamide
CID 2769116
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 3540012
3-chloro-N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]benzamide
CID 23625473
2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
CID 25163051
3-Chloro-5-fluoro-N-{(exo)-8-[(2-methoxy-1,1-dimethylethyl) carbamoyl]methyl-8-azabicyclo[3.2.1]octan-3-yl}methylbenzamide
CID 126736687
2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 25161959
N-[1-(4-acetylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 25162409
N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 25162676
2-chloro-N-[1-(3-methylpiperidin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 25162747
N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 25163343

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide (CID 5021441) is 3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide is CCCCCC1SCC(C(=O)NCCN2CCOCC2)N1C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ONXSNQGLGCMAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O3S/c1-2-3-4-8-20-26(22(28)17-6-5-7-18(23)15-17)19(16-30-20)21(27)24-9-10-25-11-13-29-14-12-25/h5-7,15,19-20H,2-4,8-14,16H2,1H3,(H,24,27).
What are the key properties of 3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 454.04 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorobenzoyl)-N-(2-morpholin-4-ylethyl)-2-pentyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 5021441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).