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

C25H21BrN2O4S — CID 171369069

IUPACN-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccc(C3SCC(=O)N3c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C25H21BrN2O4S/c1-16(29)17-2-8-20(9-3-17)27-23(30)14-32-22-12-4-18(5-13-22)25-28(24(31)15-33-25)21-10-6-19(26)7-11-21/h2-13,25H,14-15H2,1H3,(H,27,30)
InChIKeyYCCKUQPENANDDB-UHFFFAOYSA-N
MW525.42 g/mol
LogP5.45
Rot. Bonds7

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

N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide (PubChem CID 171369069) has the molecular formula C25H21BrN2O4S and a molecular weight of 525.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide
PubChem CID171369069
Molecular FormulaC25H21BrN2O4S
Molecular Weight525.42 g/mol
Exact Mass524.04
IUPAC NameN-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccc(C3SCC(=O)N3c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C25H21BrN2O4S/c1-16(29)17-2-8-20(9-3-17)27-23(30)14-32-22-12-4-18(5-13-22)25-28(24(31)15-33-25)21-10-6-19(26)7-11-21/h2-13,25H,14-15H2,1H3,(H,27,30)
InChIKeyYCCKUQPENANDDB-UHFFFAOYSA-N
XLogP5.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]acetamide
CID 168510419
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
3-bromo-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125670
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125663
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 71956466
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125677
N-(4-bromophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744117
N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]adamantane-1-carboxamide
CID 93125674

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide (CID 171369069) is N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide is CC(=O)c1ccc(NC(=O)COc2ccc(C3SCC(=O)N3c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide?
The InChIKey is YCCKUQPENANDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O4S/c1-16(29)17-2-8-20(9-3-17)27-23(30)14-32-22-12-4-18(5-13-22)25-28(24(31)15-33-25)21-10-6-19(26)7-11-21/h2-13,25H,14-15H2,1H3,(H,27,30).
What are the key properties of N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide?
N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide has a molecular weight of 525.42 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 171369069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).