N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide

C21H23N3O5S — CID 10836337

IUPACN-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NN2C(=O)CSC2c2ccccc2O)c(C(C)C)cc1N=O
InChIInChI=1S/C21H23N3O5S/c1-12(2)15-9-16(23-28)13(3)8-18(15)29-10-19(26)22-24-20(27)11-30-21(24)14-6-4-5-7-17(14)25/h4-9,12,21,25H,10-11H2,1-3H3,(H,22,26)
InChIKeyUZVZFUZSPICJTO-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.91
Rot. Bonds7

About N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide

N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide (PubChem CID 10836337) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
PubChem CID10836337
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NN2C(=O)CSC2c2ccccc2O)c(C(C)C)cc1N=O
InChIInChI=1S/C21H23N3O5S/c1-12(2)15-9-16(23-28)13(3)8-18(15)29-10-19(26)22-24-20(27)11-30-21(24)14-6-4-5-7-17(14)25/h4-9,12,21,25H,10-11H2,1-3H3,(H,22,26)
InChIKeyUZVZFUZSPICJTO-UHFFFAOYSA-N
XLogP3.91
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
CID 10765672
N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide
CID 11571232
2-[2-(3,4-dichlorophenyl)-3-[[2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetyl]amino]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 10578368
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
CID 10523412
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
CID 10692808
2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 11664742
N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide
CID 11592987
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135716692
4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide
CID 3340394
N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 2311623
2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 891918
2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 25023320

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide (CID 10836337) is N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)NN2C(=O)CSC2c2ccccc2O)c(C(C)C)cc1N=O.
What is the InChIKey of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
The InChIKey is UZVZFUZSPICJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-12(2)15-9-16(23-28)13(3)8-18(15)29-10-19(26)22-24-20(27)11-30-21(24)14-6-4-5-7-17(14)25/h4-9,12,21,25H,10-11H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide?
N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide has a molecular weight of 429.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 10836337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).