N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C19H16N2O4S — CID 8882986

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCCOc1ccc2nc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)sc2c1
InChIInChI=1S/C19H16N2O4S/c1-2-24-11-7-8-14-16(9-11)26-19(20-14)21-17(22)10-15-12-5-3-4-6-13(12)18(23)25-15/h3-9,15H,2,10H2,1H3,(H,20,21,22)/t15-/m0/s1
InChIKeyZIBREEFOOOYBFE-HNNXBMFYSA-N
MW368.41 g/mol
LogP3.94
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 8882986) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID8882986
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCCOc1ccc2nc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)sc2c1
InChIInChI=1S/C19H16N2O4S/c1-2-24-11-7-8-14-16(9-11)26-19(20-14)21-17(22)10-15-12-5-3-4-6-13(12)18(23)25-15/h3-9,15H,2,10H2,1H3,(H,20,21,22)/t15-/m0/s1
InChIKeyZIBREEFOOOYBFE-HNNXBMFYSA-N
XLogP3.94
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 8571688
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
4-(1,3-dioxoisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2677097
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide
CID 74647316
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dioxo-3-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-4-(2-phenylphenyl)butanamide
CID 98134106
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 7926146
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18556971
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 7222718
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 7222723

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 8882986) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is CCOc1ccc2nc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is ZIBREEFOOOYBFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-2-24-11-7-8-14-16(9-11)26-19(20-14)21-17(22)10-15-12-5-3-4-6-13(12)18(23)25-15/h3-9,15H,2,10H2,1H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 368.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 8882986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).