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

C23H28N2O3S — CID 42745274

IUPAC2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)Nc3ccc(C)cc3)CSC2C(C)(C)C)cc1
InChIInChI=1S/C23H28N2O3S/c1-15-6-10-17(11-7-15)24-20(26)19-14-29-22(23(2,3)4)25(19)21(27)16-8-12-18(28-5)13-9-16/h6-13,19,22H,14H2,1-5H3,(H,24,26)
InChIKeyHLAGEZDJAWIHED-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.57
Rot. Bonds4

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

2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745274) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745274
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(C(=O)Nc3ccc(C)cc3)CSC2C(C)(C)C)cc1
InChIInChI=1S/C23H28N2O3S/c1-15-6-10-17(11-7-15)24-20(26)19-14-29-22(23(2,3)4)25(19)21(27)16-8-12-18(28-5)13-9-16/h6-13,19,22H,14H2,1-5H3,(H,24,26)
InChIKeyHLAGEZDJAWIHED-UHFFFAOYSA-N
XLogP4.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 4005541
N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744453
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42745243
N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748206
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
(4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 682155
N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 56785175
N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 3349910
(1S)-N-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2260163

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide (CID 42745274) is 2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(C(=O)N2C(C(=O)Nc3ccc(C)cc3)CSC2C(C)(C)C)cc1.
What is the InChIKey of 2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HLAGEZDJAWIHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-15-6-10-17(11-7-15)24-20(26)19-14-29-22(23(2,3)4)25(19)21(27)16-8-12-18(28-5)13-9-16/h6-13,19,22H,14H2,1-5H3,(H,24,26).
What are the key properties of 2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).