(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide

C22H32N2O2S — CID 7216276

IUPAC(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C22H32N2O2S/c1-15(2)16(3)23-20(25)19-14-27-22(18-12-8-5-9-13-18)24(19)21(26)17-10-6-4-7-11-17/h4,6-7,10-11,15-16,18-19,22H,5,8-9,12-14H2,1-3H3,(H,23,25)/t16-,19+,22-/m1/s1
InChIKeyOSOWHYZRVTYQTA-GTCCEBARSA-N
MW388.58 g/mol
LogP4.31
Rot. Bonds5

About (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide

(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 7216276) has the molecular formula C22H32N2O2S and a molecular weight of 388.58 g/mol. Its IUPAC name is (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID7216276
Molecular FormulaC22H32N2O2S
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC Name(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C22H32N2O2S/c1-15(2)16(3)23-20(25)19-14-27-22(18-12-8-5-9-13-18)24(19)21(26)17-10-6-4-7-11-17/h4,6-7,10-11,15-16,18-19,22H,5,8-9,12-14H2,1-3H3,(H,23,25)/t16-,19+,22-/m1/s1
InChIKeyOSOWHYZRVTYQTA-GTCCEBARSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

2-cyclohexyl-3-(4-methylbenzoyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 3334688
(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7355982
(2R,4R)-3-benzoyl-2-(3-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7362198
(2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 1062714
(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 1198786
2-cyclohexyl-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744153
2-[(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)amino]propanoic acid
CID 119225256
1-benzoyl-N-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 112805006
3-(4-chlorobenzoyl)-2-cyclohexyl-N-cyclopropyl-1,3-thiazolidine-4-carboxamide
CID 42744142
2-cyclohexyl-N-(1,2-diphenylethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744164
(2R,4R)-3-(2-chlorobenzoyl)-2-cyclohexyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1198821
(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7296665

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 7216276) is (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide is CC(C)[C@@H](C)NC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1ccccc1.
What is the InChIKey of (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is OSOWHYZRVTYQTA-GTCCEBARSA-N. The full InChI is InChI=1S/C22H32N2O2S/c1-15(2)16(3)23-20(25)19-14-27-22(18-12-8-5-9-13-18)24(19)21(26)17-10-6-4-7-11-17/h4,6-7,10-11,15-16,18-19,22H,5,8-9,12-14H2,1-3H3,(H,23,25)/t16-,19+,22-/m1/s1.
What are the key properties of (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide?
(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 388.58 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7216276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).