3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide

C32H30N2O3S — CID 3335889

IUPAC3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSC(c3ccc(OCc4ccccc4)cc3)N2C(=O)c2ccccc2)cc1C
InChIInChI=1S/C32H30N2O3S/c1-22-13-16-27(19-23(22)2)33-30(35)29-21-38-32(34(29)31(36)25-11-7-4-8-12-25)26-14-17-28(18-15-26)37-20-24-9-5-3-6-10-24/h3-19,29,32H,20-21H2,1-2H3,(H,33,35)
InChIKeyRPIZPEUPFRELDA-UHFFFAOYSA-N
MW522.67 g/mol
LogP6.78
Rot. Bonds7

About 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 3335889) has the molecular formula C32H30N2O3S and a molecular weight of 522.67 g/mol. Its IUPAC name is 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID3335889
Molecular FormulaC32H30N2O3S
Molecular Weight522.67 g/mol
Exact Mass522.20
IUPAC Name3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSC(c3ccc(OCc4ccccc4)cc3)N2C(=O)c2ccccc2)cc1C
InChIInChI=1S/C32H30N2O3S/c1-22-13-16-27(19-23(22)2)33-30(35)29-21-38-32(34(29)31(36)25-11-7-4-8-12-25)26-14-17-28(18-15-26)37-20-24-9-5-3-6-10-24/h3-19,29,32H,20-21H2,1-2H3,(H,33,35)
InChIKeyRPIZPEUPFRELDA-UHFFFAOYSA-N
XLogP6.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.67
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 4005541
N-(1-benzylpiperidin-4-yl)-3-(4-chlorobenzoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 3907010
2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 42728839
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
(2S,4S)-4-N-[(4-chlorophenyl)methyl]-3-N-(3,4-dimethylphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
CID 92703684
3-N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-4-N-propan-2-yl-1,3-thiazolidine-3,4-dicarboxamide
CID 6623830
(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 987488
3-(4-methoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744343
benzyl 4-(phenylcarbamoyl)-2-pyridin-4-yl-1,3-thiazolidine-3-carboxylate
CID 24954293
3-(3-chloropropanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728854
benzyl (4R)-4-[[4-(phenylcarbamoyl)phenyl]carbamoyl]-2-pyridin-4-yl-1,3-thiazolidine-3-carboxylate
CID 24955378

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide (CID 3335889) is 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)C2CSC(c3ccc(OCc4ccccc4)cc3)N2C(=O)c2ccccc2)cc1C.
What is the InChIKey of 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is RPIZPEUPFRELDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O3S/c1-22-13-16-27(19-23(22)2)33-30(35)29-21-38-32(34(29)31(36)25-11-7-4-8-12-25)26-14-17-28(18-15-26)37-20-24-9-5-3-6-10-24/h3-19,29,32H,20-21H2,1-2H3,(H,33,35).
What are the key properties of 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 522.67 g/mol, XLogP of 6.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3335889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).