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

C22H23N3O3S — CID 2925349

IUPAC4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-15(2)16-6-10-19(11-7-16)28-14-20(26)24-18-8-4-17(5-9-18)21(27)25-22-23-12-13-29-22/h4-13,15H,3,14H2,1-2H3,(H,24,26)(H,23,25,27)
InChIKeySKOBUCLDFKGXSZ-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.93
Rot. Bonds8

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

4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2925349) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2925349
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-15(2)16-6-10-19(11-7-16)28-14-20(26)24-18-8-4-17(5-9-18)21(27)25-22-23-12-13-29-22/h4-13,15H,3,14H2,1-2H3,(H,24,26)(H,23,25,27)
InChIKeySKOBUCLDFKGXSZ-UHFFFAOYSA-N
XLogP4.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide with MolForge

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Related Compounds

3-[[2-[4-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1116727
4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361539
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522
2-(4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1015546
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
N-[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 23095230
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 2925349) is 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is CCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is SKOBUCLDFKGXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-15(2)16-6-10-19(11-7-16)28-14-20(26)24-18-8-4-17(5-9-18)21(27)25-22-23-12-13-29-22/h4-13,15H,3,14H2,1-2H3,(H,24,26)(H,23,25,27).
What are the key properties of 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2925349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).