N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide

C24H21ClN2O3S — CID 168510419

IUPACN-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide
SMILESCc1ccc(C2SCC(=O)N2c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H21ClN2O3S/c1-16-2-4-17(5-3-16)24-27(23(29)15-31-24)20-10-12-21(13-11-20)30-14-22(28)26-19-8-6-18(25)7-9-19/h2-13,24H,14-15H2,1H3,(H,26,28)
InChIKeyFUYBXRVZBAFANK-UHFFFAOYSA-N
MW452.96 g/mol
LogP5.44
Rot. Bonds6

About N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide

N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide (PubChem CID 168510419) has the molecular formula C24H21ClN2O3S and a molecular weight of 452.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide
PubChem CID168510419
Molecular FormulaC24H21ClN2O3S
Molecular Weight452.96 g/mol
Exact Mass452.10
IUPAC NameN-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide
SMILESCc1ccc(C2SCC(=O)N2c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H21ClN2O3S/c1-16-2-4-17(5-3-16)24-27(23(29)15-31-24)20-10-12-21(13-11-20)30-14-22(28)26-19-8-6-18(25)7-9-19/h2-13,24H,14-15H2,1H3,(H,26,28)
InChIKeyFUYBXRVZBAFANK-UHFFFAOYSA-N
XLogP5.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.96
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide
CID 171369069
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 71956466
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 93127994
N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 93005213
N-[4-[(2S)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127579
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125663
N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide
CID 93125674
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide (CID 168510419) is N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide is Cc1ccc(C2SCC(=O)N2c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide?
The InChIKey is FUYBXRVZBAFANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3S/c1-16-2-4-17(5-3-16)24-27(23(29)15-31-24)20-10-12-21(13-11-20)30-14-22(28)26-19-8-6-18(25)7-9-19/h2-13,24H,14-15H2,1H3,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide?
N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide has a molecular weight of 452.96 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide is sourced from PubChem (CID 168510419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).