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

C21H21N3O3S — CID 17296385

IUPACN-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(C)c(OCC(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1C
InChIInChI=1S/C21H21N3O3S/c1-13-9-15(3)18(10-14(13)2)27-12-19(25)23-17-6-4-5-16(11-17)20(26)24-21-22-7-8-28-21/h4-11H,12H2,1-3H3,(H,23,25)(H,22,24,26)
InChIKeyXNPOPQHGMQYKOF-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.34
Rot. Bonds6

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

N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide (PubChem CID 17296385) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
PubChem CID17296385
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(C)c(OCC(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1C
InChIInChI=1S/C21H21N3O3S/c1-13-9-15(3)18(10-14(13)2)27-12-19(25)23-17-6-4-5-16(11-17)20(26)24-21-22-7-8-28-21/h4-11H,12H2,1-3H3,(H,23,25)(H,22,24,26)
InChIKeyXNPOPQHGMQYKOF-UHFFFAOYSA-N
XLogP4.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361413
3-[[2-[4-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1116727
3-[3-(2-methoxyphenyl)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361430
N-(3-acetamidophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978105
2-ethoxy-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321520
3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 977043
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide (CID 17296385) is N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide is Cc1cc(C)c(OCC(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1C.
What is the InChIKey of N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide?
The InChIKey is XNPOPQHGMQYKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-13-9-15(3)18(10-14(13)2)27-12-19(25)23-17-6-4-5-16(11-17)20(26)24-21-22-7-8-28-21/h4-11H,12H2,1-3H3,(H,23,25)(H,22,24,26).
What are the key properties of N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide?
N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide has a molecular weight of 395.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17296385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).