3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide

C25H24N2O3S — CID 4005541

IUPAC3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)Nc3ccc(C)cc3)CSC2c2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-17-8-12-20(13-9-17)26-23(28)22-16-31-25(19-6-4-3-5-7-19)27(22)24(29)18-10-14-21(30-2)15-11-18/h3-15,22,25H,16H2,1-2H3,(H,26,28)
InChIKeyYALUREMLYRHIQQ-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.90
Rot. Bonds5

About 3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide

3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide (PubChem CID 4005541) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
PubChem CID4005541
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)Nc3ccc(C)cc3)CSC2c2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-17-8-12-20(13-9-17)26-23(28)22-16-31-25(19-6-4-3-5-7-19)27(22)24(29)18-10-14-21(30-2)15-11-18/h3-15,22,25H,16H2,1-2H3,(H,26,28)
InChIKeyYALUREMLYRHIQQ-UHFFFAOYSA-N
XLogP4.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42745274
3-(4-methoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744343
3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42745243
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745167
3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 3335889
2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4534669
N-benzhydryl-2-(4-fluorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4679781
methyl (2S,4R)-2-(4-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 1477729
(2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7330974
3-(4-butoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 42728488
(2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 7231990

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide (CID 4005541) is 3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide is COc1ccc(C(=O)N2C(C(=O)Nc3ccc(C)cc3)CSC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is YALUREMLYRHIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17-8-12-20(13-9-17)26-23(28)22-16-31-25(19-6-4-3-5-7-19)27(22)24(29)18-10-14-21(30-2)15-11-18/h3-15,22,25H,16H2,1-2H3,(H,26,28).
What are the key properties of 3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4005541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).