N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C23H21N3O3S — CID 55651503

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC(=O)c1sc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)nc1-c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-13-11-18(13)22(29)24-17-10-6-9-16(12-17)21(28)26-23-25-19(20(30-23)14(2)27)15-7-4-3-5-8-15/h3-10,12-13,18H,11H2,1-2H3,(H,24,29)(H,25,26,28)
InChIKeyMTRWDKHCQYGBFU-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.86
Rot. Bonds6

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 55651503) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID55651503
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC(=O)c1sc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)nc1-c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-13-11-18(13)22(29)24-17-10-6-9-16(12-17)21(28)26-23-25-19(20(30-23)14(2)27)15-7-4-3-5-8-15/h3-10,12-13,18H,11H2,1-2H3,(H,24,29)(H,25,26,28)
InChIKeyMTRWDKHCQYGBFU-UHFFFAOYSA-N
XLogP4.86
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 24687299
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121042716
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651104
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 40852738
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide
CID 4083899
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2348668

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 55651503) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC(=O)c1sc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is MTRWDKHCQYGBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-13-11-18(13)22(29)24-17-10-6-9-16(12-17)21(28)26-23-25-19(20(30-23)14(2)27)15-7-4-3-5-8-15/h3-10,12-13,18H,11H2,1-2H3,(H,24,29)(H,25,26,28).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 419.51 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 55651503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).