3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide

C24H21ClN2O2S — CID 42745243

IUPAC3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSC(c3ccccc3Cl)N2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21ClN2O2S/c1-16-11-13-18(14-12-16)26-22(28)21-15-30-24(19-9-5-6-10-20(19)25)27(21)23(29)17-7-3-2-4-8-17/h2-14,21,24H,15H2,1H3,(H,26,28)
InChIKeyNUSZEOAMRQDVCW-UHFFFAOYSA-N
MW436.96 g/mol
LogP5.54
Rot. Bonds4

About 3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide

3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745243) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is 3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745243
Molecular FormulaC24H21ClN2O2S
Molecular Weight436.96 g/mol
Exact Mass436.10
IUPAC Name3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSC(c3ccccc3Cl)N2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21ClN2O2S/c1-16-11-13-18(14-12-16)26-22(28)21-15-30-24(19-9-5-6-10-20(19)25)27(21)23(29)17-7-3-2-4-8-17/h2-14,21,24H,15H2,1H3,(H,26,28)
InChIKeyNUSZEOAMRQDVCW-UHFFFAOYSA-N
XLogP5.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728767
(2R,4R)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 7044378
(2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 7044376
3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 4005541
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate
CID 42728826
(2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 1051119
2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42744835
2-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 5217013
(2R,4S)-2-(2-chlorophenyl)-3-(4-methyl-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 1264988
methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728775
N-benzhydryl-2-(4-fluorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4679781

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide (CID 42745243) is 3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)C2CSC(c3ccccc3Cl)N2C(=O)c2ccccc2)cc1.
What is the InChIKey of 3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NUSZEOAMRQDVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c1-16-11-13-18(14-12-16)26-22(28)21-15-30-24(19-9-5-6-10-20(19)25)27(21)23(29)17-7-3-2-4-8-17/h2-14,21,24H,15H2,1H3,(H,26,28).
What are the key properties of 3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 436.96 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).