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

C27H25N3O4S — CID 46586199

IUPAC4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3ccc(C(=O)Nc4ccccc4OC)cc3)cs2)cc1
InChIInChI=1S/C27H25N3O4S/c1-3-34-22-14-10-19(11-15-22)27-29-21(17-35-27)16-25(31)28-20-12-8-18(9-13-20)26(32)30-23-6-4-5-7-24(23)33-2/h4-15,17H,3,16H2,1-2H3,(H,28,31)(H,30,32)
InChIKeyZNUNFBYIIDDKKQ-UHFFFAOYSA-N
MW487.58 g/mol
LogP5.65
Rot. Bonds9

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

4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 46586199) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is 4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID46586199
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC Name4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCCOc1ccc(-c2nc(CC(=O)Nc3ccc(C(=O)Nc4ccccc4OC)cc3)cs2)cc1
InChIInChI=1S/C27H25N3O4S/c1-3-34-22-14-10-19(11-15-22)27-29-21(17-35-27)16-25(31)28-20-12-8-18(9-13-20)26(32)30-23-6-4-5-7-24(23)33-2/h4-15,17H,3,16H2,1-2H3,(H,28,31)(H,30,32)
InChIKeyZNUNFBYIIDDKKQ-UHFFFAOYSA-N
XLogP5.65
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
N-(3-acetamido-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 37081428
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 86898181
2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide
CID 35361449
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841919
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide (CID 46586199) is 4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide is CCOc1ccc(-c2nc(CC(=O)Nc3ccc(C(=O)Nc4ccccc4OC)cc3)cs2)cc1.
What is the InChIKey of 4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is ZNUNFBYIIDDKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c1-3-34-22-14-10-19(11-15-22)27-29-21(17-35-27)16-25(31)28-20-12-8-18(9-13-20)26(32)30-23-6-4-5-7-24(23)33-2/h4-15,17H,3,16H2,1-2H3,(H,28,31)(H,30,32).
What are the key properties of 4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 487.58 g/mol, XLogP of 5.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 46586199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).