N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C27H32N4O5S — CID 25163414

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)c2)c(OC)c1
InChIInChI=1S/C27H32N4O5S/c1-30(17-19-10-11-21(35-2)15-22(19)36-3)26(34)18-8-7-9-20(14-18)28-24(32)16-23-25(33)29-27(37-23)31-12-5-4-6-13-31/h7-11,14-15,23H,4-6,12-13,16-17H2,1-3H3,(H,28,32)
InChIKeyYZEMMOWAEJDLFM-UHFFFAOYSA-N
MW524.64 g/mol
LogP3.79
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 25163414) has the molecular formula C27H32N4O5S and a molecular weight of 524.64 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID25163414
Molecular FormulaC27H32N4O5S
Molecular Weight524.64 g/mol
Exact Mass524.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)c2)c(OC)c1
InChIInChI=1S/C27H32N4O5S/c1-30(17-19-10-11-21(35-2)15-22(19)36-3)26(34)18-8-7-9-20(14-18)28-24(32)16-23-25(33)29-27(37-23)31-12-5-4-6-13-31/h7-11,14-15,23H,4-6,12-13,16-17H2,1-3H3,(H,28,32)
InChIKeyYZEMMOWAEJDLFM-UHFFFAOYSA-N
XLogP3.79
TPSA100.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.64
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 39954547
N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 26010248
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55454342
N-[(4-methoxyphenyl)methyl]-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40855465
N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996537
N-[(2,4-dimethoxyphenyl)methyl]-3-[[2-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-methylbenzamide
CID 91899140
N-(3-methoxyphenyl)-4-[[2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 26202131
N-butyl-N-ethyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46549672
N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378431
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874466
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874464

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 25163414) is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is COc1ccc(CN(C)C(=O)c2cccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is YZEMMOWAEJDLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5S/c1-30(17-19-10-11-21(35-2)15-22(19)36-3)26(34)18-8-7-9-20(14-18)28-24(32)16-23-25(33)29-27(37-23)31-12-5-4-6-13-31/h7-11,14-15,23H,4-6,12-13,16-17H2,1-3H3,(H,28,32).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 524.64 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 25163414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).