2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

C32H36N2O2S — CID 42744164

IUPAC2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NC(Cc2ccccc2)c2ccccc2)CSC1C1CCCCC1
InChIInChI=1S/C32H36N2O2S/c1-23-13-11-12-20-27(23)31(36)34-29(22-37-32(34)26-18-9-4-10-19-26)30(35)33-28(25-16-7-3-8-17-25)21-24-14-5-2-6-15-24/h2-3,5-8,11-17,20,26,28-29,32H,4,9-10,18-19,21-22H2,1H3,(H,33,35)
InChIKeyZAEUOWFXOGECMM-UHFFFAOYSA-N
MW512.72 g/mol
LogP6.56
Rot. Bonds7

About 2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide

2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744164) has the molecular formula C32H36N2O2S and a molecular weight of 512.72 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744164
Molecular FormulaC32H36N2O2S
Molecular Weight512.72 g/mol
Exact Mass512.25
IUPAC Name2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1C(C(=O)NC(Cc2ccccc2)c2ccccc2)CSC1C1CCCCC1
InChIInChI=1S/C32H36N2O2S/c1-23-13-11-12-20-27(23)31(36)34-29(22-37-32(34)26-18-9-4-10-19-26)30(35)33-28(25-16-7-3-8-17-25)21-24-14-5-2-6-15-24/h2-3,5-8,11-17,20,26,28-29,32H,4,9-10,18-19,21-22H2,1H3,(H,33,35)
InChIKeyZAEUOWFXOGECMM-UHFFFAOYSA-N
XLogP6.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.72
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744161
2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3548815
(2S,4S)-3-(2-methylbenzoyl)-N-[(2S)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 6549185
(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7216276
3-(2-methylbenzoyl)-2-(2-methylpropyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 3951099
(2R,4R)-3-(2-chlorobenzoyl)-2-cyclohexyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1198821
2-cyclohexyl-3-(4-methylbenzoyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 3334688
3-(2-methylbenzoyl)-N-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744803
(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 1198786
2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781785
2-[5-(1,2-diphenylethylcarbamoyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-oxoacetic acid
CID 54024670
[(2S)-1-[(2S)-2-[[(1S)-1,2-diphenylethyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanium dichloride
CID 158486076

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42744164) is 2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is Cc1ccccc1C(=O)N1C(C(=O)NC(Cc2ccccc2)c2ccccc2)CSC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZAEUOWFXOGECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2S/c1-23-13-11-12-20-27(23)31(36)34-29(22-37-32(34)26-18-9-4-10-19-26)30(35)33-28(25-16-7-3-8-17-25)21-24-14-5-2-6-15-24/h2-3,5-8,11-17,20,26,28-29,32H,4,9-10,18-19,21-22H2,1H3,(H,33,35).
What are the key properties of 2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide?
2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 512.72 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).