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

C24H28N4O3S — CID 4792172

IUPAC3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCCN(CC)C1=NC(=O)C(CC(=O)Nc2cccc(C(=O)NCc3ccc(C)cc3)c2)S1
InChIInChI=1S/C24H28N4O3S/c1-4-28(5-2)24-27-23(31)20(32-24)14-21(29)26-19-8-6-7-18(13-19)22(30)25-15-17-11-9-16(3)10-12-17/h6-13,20H,4-5,14-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyGDALBSKXEJZAFZ-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.59
Rot. Bonds8

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

3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 4792172) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID4792172
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCCN(CC)C1=NC(=O)C(CC(=O)Nc2cccc(C(=O)NCc3ccc(C)cc3)c2)S1
InChIInChI=1S/C24H28N4O3S/c1-4-28(5-2)24-27-23(31)20(32-24)14-21(29)26-19-8-6-7-18(13-19)22(30)25-15-17-11-9-16(3)10-12-17/h6-13,20H,4-5,14-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyGDALBSKXEJZAFZ-UHFFFAOYSA-N
XLogP3.59
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24681303
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 45354424
3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[4-(diethylamino)phenyl]benzamide
CID 27229194
3-[[2-[(5R)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848492
3-[[2-[(5R)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 36780117
3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 26001279
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-[[2-[(5R)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41048262
N-[(4-methoxyphenyl)methyl]-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40855465
2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40879967
[2-(cyclopentylamino)-2-oxoethyl] 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate
CID 42981105
N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
CID 11963472
N-(4-ethylphenyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46531785

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (CID 4792172) is 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is CCN(CC)C1=NC(=O)C(CC(=O)Nc2cccc(C(=O)NCc3ccc(C)cc3)c2)S1.
What is the InChIKey of 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is GDALBSKXEJZAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-4-28(5-2)24-27-23(31)20(32-24)14-21(29)26-19-8-6-7-18(13-19)22(30)25-15-17-11-9-16(3)10-12-17/h6-13,20H,4-5,14-15H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 4792172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).