2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide

C30H34N2O3S — CID 4534669

IUPAC2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)NC(C)c3ccccc3)CSC2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H34N2O3S/c1-20(21-9-7-6-8-10-21)31-27(33)26-19-36-29(23-11-15-24(16-12-23)30(2,3)4)32(26)28(34)22-13-17-25(35-5)18-14-22/h6-18,20,26,29H,19H2,1-5H3,(H,31,33)
InChIKeyJYCFOWHTNXAATN-UHFFFAOYSA-N
MW502.68 g/mol
LogP6.13
Rot. Bonds6

About 2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide

2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4534669) has the molecular formula C30H34N2O3S and a molecular weight of 502.68 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4534669
Molecular FormulaC30H34N2O3S
Molecular Weight502.68 g/mol
Exact Mass502.23
IUPAC Name2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)NC(C)c3ccccc3)CSC2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H34N2O3S/c1-20(21-9-7-6-8-10-21)31-27(33)26-19-36-29(23-11-15-24(16-12-23)30(2,3)4)32(26)28(34)22-13-17-25(35-5)18-14-22/h6-18,20,26,29H,19H2,1-5H3,(H,31,33)
InChIKeyJYCFOWHTNXAATN-UHFFFAOYSA-N
XLogP6.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 3986866
3-(4-methoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744343
tert-butyl (2S,4R)-2-(4-chlorophenyl)-4-[[(1S)-1-phenylethyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 25407730
tert-butyl (2R,4S)-2-(4-chlorophenyl)-4-[[(1S)-1-phenylethyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 41244220
3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 4005541
3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744425
N-benzhydryl-2-(4-fluorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4679781
methyl 3-benzoyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate
CID 42729596
2-(4-tert-butylphenyl)-3-(4-fluorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 3976969
2-(4-tert-butylphenyl)-N-(2-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3988039
N-(1-benzylpiperidin-4-yl)-2-(4-tert-butylphenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3439892
N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745167

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide (CID 4534669) is 2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(C(=O)N2C(C(=O)NC(C)c3ccccc3)CSC2c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JYCFOWHTNXAATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3S/c1-20(21-9-7-6-8-10-21)31-27(33)26-19-36-29(23-11-15-24(16-12-23)30(2,3)4)32(26)28(34)22-13-17-25(35-5)18-14-22/h6-18,20,26,29H,19H2,1-5H3,(H,31,33).
What are the key properties of 2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 502.68 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-(4-methoxybenzoyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4534669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).