N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide

C18H24N2O2S — CID 13284628

IUPACN-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCc1cccc(C2SC(=O)N(C(=O)NC3CCCCC3)C2C)c1
InChIInChI=1S/C18H24N2O2S/c1-12-7-6-8-14(11-12)16-13(2)20(18(22)23-16)17(21)19-15-9-4-3-5-10-15/h6-8,11,13,15-16H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyHWCLHAAGMSELHY-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.64
Rot. Bonds2

About N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide

N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide (PubChem CID 13284628) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
PubChem CID13284628
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESCc1cccc(C2SC(=O)N(C(=O)NC3CCCCC3)C2C)c1
InChIInChI=1S/C18H24N2O2S/c1-12-7-6-8-14(11-12)16-13(2)20(18(22)23-16)17(21)19-15-9-4-3-5-10-15/h6-8,11,13,15-16H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyHWCLHAAGMSELHY-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;hydrochloride
CID 67450795
(4S,5S)-4-methyl-N-(4-methylcyclohexyl)-5-(4-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide
CID 70513523
5-(4-chlorocyclohepta-1,3,5-trien-1-yl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 142139775
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclohexyl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 11066603
(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide;methyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoate
CID 68700163
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 110900682
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810944
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide (CID 13284628) is N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide is Cc1cccc(C2SC(=O)N(C(=O)NC3CCCCC3)C2C)c1.
What is the InChIKey of N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
The InChIKey is HWCLHAAGMSELHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12-7-6-8-14(11-12)16-13(2)20(18(22)23-16)17(21)19-15-9-4-3-5-10-15/h6-8,11,13,15-16H,3-5,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide?
N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-5-(3-methylphenyl)-2-oxo-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 13284628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).