N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide

C24H26N4O4S — CID 3205265

IUPACN'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C24H26N4O4S/c1-32-20-9-7-19(8-10-20)28(17-22(30)25-14-13-18-5-3-2-4-6-18)23(31)12-11-21(29)27-24-26-15-16-33-24/h2-10,15-16H,11-14,17H2,1H3,(H,25,30)(H,26,27,29)
InChIKeyKWVQDSXGPWYKON-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.26
Rot. Bonds11

About N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide

N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205265) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205265
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C24H26N4O4S/c1-32-20-9-7-19(8-10-20)28(17-22(30)25-14-13-18-5-3-2-4-6-18)23(31)12-11-21(29)27-24-26-15-16-33-24/h2-10,15-16H,11-14,17H2,1H3,(H,25,30)(H,26,27,29)
InChIKeyKWVQDSXGPWYKON-UHFFFAOYSA-N
XLogP3.26
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 6462201
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-methoxyphenyl)acetamide
CID 163368410
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 163368444
1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2911388
N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 1096805
1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2947457
N-(4-Methoxy-benzyl)-N-[(4-methoxy-benzylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205335
N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(4-methoxy-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205357
N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205365
N-Cyclopentylcarbamoylmethyl-N-(4-ethoxy-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205396
N'-(2-fluorophenyl)-N'-[1-(4-methoxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205481
N'-[2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205494

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide (CID 3205265) is N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide is COc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2nccs2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is KWVQDSXGPWYKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-32-20-9-7-19(8-10-20)28(17-22(30)25-14-13-18-5-3-2-4-6-18)23(31)12-11-21(29)27-24-26-15-16-33-24/h2-10,15-16H,11-14,17H2,1H3,(H,25,30)(H,26,27,29).
What are the key properties of N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide?
N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 466.56 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).