2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C24H20Cl2N2O2S — CID 41259485

IUPAC2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESC[C@H]1S[C@@H](c2cccc(NC(=O)c3ccccc3Cl)c2)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C24H20Cl2N2O2S/c1-15-23(30)28(14-16-6-4-8-18(25)12-16)24(31-15)17-7-5-9-19(13-17)27-22(29)20-10-2-3-11-21(20)26/h2-13,15,24H,14H2,1H3,(H,27,29)/t15-,24+/m1/s1
InChIKeyCWLLLNJRUXCIMA-MYYSRTQBSA-N
MW471.41 g/mol
LogP6.41
Rot. Bonds5

About 2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 41259485) has the molecular formula C24H20Cl2N2O2S and a molecular weight of 471.41 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID41259485
Molecular FormulaC24H20Cl2N2O2S
Molecular Weight471.41 g/mol
Exact Mass470.06
IUPAC Name2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESC[C@H]1S[C@@H](c2cccc(NC(=O)c3ccccc3Cl)c2)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C24H20Cl2N2O2S/c1-15-23(30)28(14-16-6-4-8-18(25)12-16)24(31-15)17-7-5-9-19(13-17)27-22(29)20-10-2-3-11-21(20)26/h2-13,15,24H,14H2,1H3,(H,27,29)/t15-,24+/m1/s1
InChIKeyCWLLLNJRUXCIMA-MYYSRTQBSA-N
XLogP6.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.41
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125328
(4S,5R)-3-[(3-chlorophenyl)methyl]-5-[3-[(2-fluorobenzoyl)amino]phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 93206816
2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127990
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125330
2-chloro-N-[3-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126881
2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 120905897
(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562296
2-chloro-N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127527
(2S)-1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038743
1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid
CID 122040449
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 41259485) is 2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is C[C@H]1S[C@@H](c2cccc(NC(=O)c3ccccc3Cl)c2)N(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is CWLLLNJRUXCIMA-MYYSRTQBSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2S/c1-15-23(30)28(14-16-6-4-8-18(25)12-16)24(31-15)17-7-5-9-19(13-17)27-22(29)20-10-2-3-11-21(20)26/h2-13,15,24H,14H2,1H3,(H,27,29)/t15-,24+/m1/s1.
What are the key properties of 2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 471.41 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 41259485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).