N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide

C24H26N4O4S — CID 3205318

IUPACN'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2nccs2)c2cccc(C)c2)cc1
InChIInChI=1S/C24H26N4O4S/c1-17-4-3-5-19(14-17)28(23(31)11-10-21(29)27-24-25-12-13-33-24)16-22(30)26-15-18-6-8-20(32-2)9-7-18/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyAULHFHAHGDVHPU-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.53
Rot. Bonds10

About N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide

N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205318) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205318
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2nccs2)c2cccc(C)c2)cc1
InChIInChI=1S/C24H26N4O4S/c1-17-4-3-5-19(14-17)28(23(31)11-10-21(29)27-24-25-12-13-33-24)16-22(30)26-15-18-6-8-20(32-2)9-7-18/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyAULHFHAHGDVHPU-UHFFFAOYSA-N
XLogP3.53
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.53
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)methyl]acetamide
CID 163368455
N-(4-methoxybenzyl)-1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1096818
N''-[2-keto-2-(p-anisylamino)ethyl]-N-(2-pyridyl)-N''-(2-thenyl)succinamide
CID 3204877
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'-[(isopropylcarbamoyl)(4-methoxyphenyl)methyl]-N-(1,3-thiazol-2-YL)succinamide
CID 3205481
N'-[(Tert-butylcarbamoyl)(4-hydroxyphenyl)methyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-YL)succinamide
CID 3205494
N'-[(Tert-butylcarbamoyl)(4-hydroxyphenyl)methyl]-N'-(3-fluorophenyl)-N-(1,3-thiazol-2-YL)succinamide
CID 3205540
N'-(2-Methoxyethyl)-N'-[(4-methoxyphenyl)[(2-methylbutan-2-YL)carbamoyl]methyl]-N-(1,3-thiazol-2-YL)succinamide
CID 3205555

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide (CID 3205318) is N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide is COc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2nccs2)c2cccc(C)c2)cc1.
What is the InChIKey of N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is AULHFHAHGDVHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-17-4-3-5-19(14-17)28(23(31)11-10-21(29)27-24-25-12-13-33-24)16-22(30)26-15-18-6-8-20(32-2)9-7-18/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,26,30)(H,25,27,29).
What are the key properties of N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide?
N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 466.56 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).