(4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide

C22H23Cl2N3O3S — CID 55941836

IUPAC(4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C22H23Cl2N3O3S/c1-2-10-26(12-20(28)25-18-11-16(23)8-9-17(18)24)22(30)19-13-31-14-27(19)21(29)15-6-4-3-5-7-15/h3-9,11,19H,2,10,12-14H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyUGOVMPHPZASFSC-IBGZPJMESA-N
MW480.42 g/mol
LogP4.39
Rot. Bonds7

About (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide (PubChem CID 55941836) has the molecular formula C22H23Cl2N3O3S and a molecular weight of 480.42 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide
PubChem CID55941836
Molecular FormulaC22H23Cl2N3O3S
Molecular Weight480.42 g/mol
Exact Mass479.08
IUPAC Name(4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C22H23Cl2N3O3S/c1-2-10-26(12-20(28)25-18-11-16(23)8-9-17(18)24)22(30)19-13-31-14-27(19)21(29)15-6-4-3-5-7-15/h3-9,11,19H,2,10,12-14H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyUGOVMPHPZASFSC-IBGZPJMESA-N
XLogP4.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(S)-1-benzoyl-N-(4-(4-(3-chlorophenyl)piperazin-1-yl)butyl)pyrrolidine-2-carboxamide
CID 11784647
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 24817862
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
CID 25162308
(S)-1-benzoyl-N-(2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl)pyrrolidine-2-carboxamide
CID 25270655
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 25607828
N-(3,5-dichlorophenyl)-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 11383448
4-[[2-[[2-(2,5-Dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
CID 2541352
2-(1-benzoyl-3-oxo-2-piperazinyl)-N-(2,5-dichlorophenyl)acetamide
CID 2813556
3-(Benzylsulfanyl)-N-(2-chlorophenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)propanamide
CID 16008266
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-propylbenzamide
CID 24981708
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 24981867
N-[2-(2-chloroanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 25161951

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide (CID 55941836) is (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is UGOVMPHPZASFSC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23Cl2N3O3S/c1-2-10-26(12-20(28)25-18-11-16(23)8-9-17(18)24)22(30)19-13-31-14-27(19)21(29)15-6-4-3-5-7-15/h3-9,11,19H,2,10,12-14H2,1H3,(H,25,28)/t19-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 480.42 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55941836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).