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

C25H28N4O5S — CID 55378431

IUPACN-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)cc2)c1
InChIInChI=1S/C25H28N4O5S/c1-33-18-10-11-20(34-2)19(14-18)27-23(31)16-6-8-17(9-7-16)26-22(30)15-21-24(32)28-25(35-21)29-12-4-3-5-13-29/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyVZBVFKJQVXUHJL-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.77
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 55378431) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID55378431
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC NameN-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)cc2)c1
InChIInChI=1S/C25H28N4O5S/c1-33-18-10-11-20(34-2)19(14-18)27-23(31)16-6-8-17(9-7-16)26-22(30)15-21-24(32)28-25(35-21)29-12-4-3-5-13-29/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyVZBVFKJQVXUHJL-UHFFFAOYSA-N
XLogP3.77
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996537
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide
CID 9005741
N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
N-[(3-methoxyphenyl)methyl]-4-[[2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41208455
N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 26202160
N-(2-methylsulfanylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55528966
N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982889
N-(2-methoxyphenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 8969066
N,N-bis(2-methoxyethyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378379
N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55647633
N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7529178
N-[(2R)-butan-2-yl]-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 9441013

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 55378431) is N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is COc1ccc(OC)c(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is VZBVFKJQVXUHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-33-18-10-11-20(34-2)19(14-18)27-23(31)16-6-8-17(9-7-16)26-22(30)15-21-24(32)28-25(35-21)29-12-4-3-5-13-29/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 496.59 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55378431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).