propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate

C22H27NO4S2 — CID 42728540

IUPACpropyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccccc2)N1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H27NO4S2/c1-5-11-27-22(24)19-14-28-21(18-9-7-6-8-10-18)23(19)29(25,26)20-16(3)12-15(2)13-17(20)4/h6-10,12-13,19,21H,5,11,14H2,1-4H3
InChIKeyOGSHGOMBAHDUDL-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.37
Rot. Bonds6

About propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate

propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate (PubChem CID 42728540) has the molecular formula C22H27NO4S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate
PubChem CID42728540
Molecular FormulaC22H27NO4S2
Molecular Weight433.60 g/mol
Exact Mass433.14
IUPAC Namepropyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccccc2)N1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H27NO4S2/c1-5-11-27-22(24)19-14-28-21(18-9-7-6-8-10-18)23(19)29(25,26)20-16(3)12-15(2)13-17(20)4/h6-10,12-13,19,21H,5,11,14H2,1-4H3
InChIKeyOGSHGOMBAHDUDL-UHFFFAOYSA-N
XLogP4.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

butyl (2S,4R)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7296605
butyl (2S,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415567
butyl (2R,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415565
propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate
CID 42729261
propyl 2-(3-chlorophenyl)-3-(3-phenylprop-2-enoyl)-1,3-thiazolidine-4-carboxylate
CID 3388333
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
2-methylpropyl (2R,4R)-3-butanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809693
2-methylpropyl (2R,4S)-3-butanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809690
ethyl 2-phenyl-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728521
propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 7416813
2-methylpropyl (2R,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809698

Frequently Asked Questions

What is the IUPAC name of propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate (CID 42728540) is propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate is CCCOC(=O)C1CSC(c2ccccc2)N1S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is OGSHGOMBAHDUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4S2/c1-5-11-27-22(24)19-14-28-21(18-9-7-6-8-10-18)23(19)29(25,26)20-16(3)12-15(2)13-17(20)4/h6-10,12-13,19,21H,5,11,14H2,1-4H3.
What are the key properties of propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate?
propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 433.60 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-phenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42728540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).