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

C25H27FN4O3S — CID 39954547

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C25H27FN4O3S/c1-29(16-17-8-10-19(26)11-9-17)24(33)18-6-5-7-20(14-18)27-22(31)15-21-23(32)28-25(34-21)30-12-3-2-4-13-30/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,27,31)/t21-/m0/s1
InChIKeyQGKIYBDYVJIECQ-NRFANRHFSA-N
MW482.58 g/mol
LogP3.91
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide (PubChem CID 39954547) has the molecular formula C25H27FN4O3S and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
PubChem CID39954547
Molecular FormulaC25H27FN4O3S
Molecular Weight482.58 g/mol
Exact Mass482.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C25H27FN4O3S/c1-29(16-17-8-10-19(26)11-9-17)24(33)18-6-5-7-20(14-18)27-22(31)15-21-23(32)28-25(34-21)30-12-3-2-4-13-30/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,27,31)/t21-/m0/s1
InChIKeyQGKIYBDYVJIECQ-NRFANRHFSA-N
XLogP3.91
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 25163414
N-butyl-N-ethyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46549672
N-(4-ethylphenyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46531785
N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874464
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874466
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43021146
N-[(4-methoxyphenyl)methyl]-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40855465
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 46531753
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide
CID 46531740

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
The IUPAC name of 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) is N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide is CN(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
The InChIKey is QGKIYBDYVJIECQ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27FN4O3S/c1-29(16-17-8-10-19(26)11-9-17)24(33)18-6-5-7-20(14-18)27-22(31)15-21-23(32)28-25(34-21)30-12-3-2-4-13-30/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,27,31)/t21-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide has a molecular weight of 482.58 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide is sourced from PubChem (CID 39954547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).