N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide

C27H36N2O2S — CID 42807663

IUPACN-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1cccc(C2SCC(=O)N2c2cc(C)cc(C)c2)c1
InChIInChI=1S/C27H36N2O2S/c1-4-5-6-7-8-9-10-14-25(30)28-23-13-11-12-22(18-23)27-29(26(31)19-32-27)24-16-20(2)15-21(3)17-24/h11-13,15-18,27H,4-10,14,19H2,1-3H3,(H,28,30)
InChIKeyIKIMZQCNQZRQCD-UHFFFAOYSA-N
MW452.66 g/mol
LogP7.16
Rot. Bonds11

About N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide

N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide (PubChem CID 42807663) has the molecular formula C27H36N2O2S and a molecular weight of 452.66 g/mol. Its IUPAC name is N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide.

Molecular Properties

Compound NameN-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide
PubChem CID42807663
Molecular FormulaC27H36N2O2S
Molecular Weight452.66 g/mol
Exact Mass452.25
IUPAC NameN-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1cccc(C2SCC(=O)N2c2cc(C)cc(C)c2)c1
InChIInChI=1S/C27H36N2O2S/c1-4-5-6-7-8-9-10-14-25(30)28-23-13-11-12-22(18-23)27-29(26(31)19-32-27)24-16-20(2)15-21(3)17-24/h11-13,15-18,27H,4-10,14,19H2,1-3H3,(H,28,30)
InChIKeyIKIMZQCNQZRQCD-UHFFFAOYSA-N
XLogP7.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.66
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 93127994
2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127990
ethyl 4-[3-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]anilino]-4-oxobutanoate
CID 93125306
N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide
CID 42807662
ethyl 4-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]anilino]-4-oxobutanoate
CID 93125737
ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate
CID 93125069
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methoxyacetamide
CID 42805294
N-[3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide
CID 42804699
N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-3-phenylpropanamide
CID 93125038
4-butoxy-N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125732
N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 42806131
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide?
The IUPAC name of N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide (CID 42807663) is N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide.
What is the SMILES notation for N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide?
The canonical SMILES for N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide is CCCCCCCCCC(=O)Nc1cccc(C2SCC(=O)N2c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide?
The InChIKey is IKIMZQCNQZRQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2S/c1-4-5-6-7-8-9-10-14-25(30)28-23-13-11-12-22(18-23)27-29(26(31)19-32-27)24-16-20(2)15-21(3)17-24/h11-13,15-18,27H,4-10,14,19H2,1-3H3,(H,28,30).
What are the key properties of N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide?
N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide has a molecular weight of 452.66 g/mol, XLogP of 7.16, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide is sourced from PubChem (CID 42807663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).