N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide

C21H20N2O2S — CID 23833458

IUPACN-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
SMILESCC(C)(C)c1ccc2occ(CC(=O)Nc3nc4ccccc4s3)c2c1
InChIInChI=1S/C21H20N2O2S/c1-21(2,3)14-8-9-17-15(11-14)13(12-25-17)10-19(24)23-20-22-16-6-4-5-7-18(16)26-20/h4-9,11-12H,10H2,1-3H3,(H,22,23,24)
InChIKeyHLMXUFHYEQAPED-UHFFFAOYSA-N
MW364.47 g/mol
LogP5.52
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide (PubChem CID 23833458) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
PubChem CID23833458
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
SMILESCC(C)(C)c1ccc2occ(CC(=O)Nc3nc4ccccc4s3)c2c1
InChIInChI=1S/C21H20N2O2S/c1-21(2,3)14-8-9-17-15(11-14)13(12-25-17)10-19(24)23-20-22-16-6-4-5-7-18(16)26-20/h4-9,11-12H,10H2,1-3H3,(H,22,23,24)
InChIKeyHLMXUFHYEQAPED-UHFFFAOYSA-N
XLogP5.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18861274
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
2-(5-tert-butyl-1-benzofuran-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 23889660
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110463883
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 53268881
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
CID 18861301
3-[[2-(5-tert-butyl-1-benzofuran-3-yl)acetyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 18861335
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43064333

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide (CID 23833458) is N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide is CC(C)(C)c1ccc2occ(CC(=O)Nc3nc4ccccc4s3)c2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide?
The InChIKey is HLMXUFHYEQAPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-21(2,3)14-8-9-17-15(11-14)13(12-25-17)10-19(24)23-20-22-16-6-4-5-7-18(16)26-20/h4-9,11-12H,10H2,1-3H3,(H,22,23,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 23833458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).