N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide

C22H25BrN2O5S — CID 3313329

IUPACN-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
SMILESCOc1cc(Br)c(C2SCC(=O)N2CCCOc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C22H25BrN2O5S/c1-14(26)24-15-6-4-7-16(10-15)30-9-5-8-25-21(27)13-31-22(25)17-11-19(28-2)20(29-3)12-18(17)23/h4,6-7,10-12,22H,5,8-9,13H2,1-3H3,(H,24,26)
InChIKeyDLLLZNRKTNLSMQ-UHFFFAOYSA-N
MW509.42 g/mol
LogP4.47
Rot. Bonds9

About N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide

N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide (PubChem CID 3313329) has the molecular formula C22H25BrN2O5S and a molecular weight of 509.42 g/mol. Its IUPAC name is N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
PubChem CID3313329
Molecular FormulaC22H25BrN2O5S
Molecular Weight509.42 g/mol
Exact Mass508.07
IUPAC NameN-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
SMILESCOc1cc(Br)c(C2SCC(=O)N2CCCOc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C22H25BrN2O5S/c1-14(26)24-15-6-4-7-16(10-15)30-9-5-8-25-21(27)13-31-22(25)17-11-19(28-2)20(29-3)12-18(17)23/h4,6-7,10-12,22H,5,8-9,13H2,1-3H3,(H,24,26)
InChIKeyDLLLZNRKTNLSMQ-UHFFFAOYSA-N
XLogP4.47
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-[2-(3-bromothiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3560653
N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3721425
N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide
CID 3810441
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3556568
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3755052
3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 7260789
2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
CID 3597487
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3684458
N-[4-[3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]acetamide
CID 3847513

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide (CID 3313329) is N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide is COc1cc(Br)c(C2SCC(=O)N2CCCOc2cccc(NC(C)=O)c2)cc1OC.
What is the InChIKey of N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide?
The InChIKey is DLLLZNRKTNLSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O5S/c1-14(26)24-15-6-4-7-16(10-15)30-9-5-8-25-21(27)13-31-22(25)17-11-19(28-2)20(29-3)12-18(17)23/h4,6-7,10-12,22H,5,8-9,13H2,1-3H3,(H,24,26).
What are the key properties of N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide?
N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide has a molecular weight of 509.42 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide is sourced from PubChem (CID 3313329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).