N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide

C23H16N2O3S — CID 58470331

IUPACN-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cc1nc2ccc(-c3ccccc3)cc2s1)Nc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C23H16N2O3S/c26-21(24-17-8-6-16-13-28-23(27)18(16)11-17)12-22-25-19-9-7-15(10-20(19)29-22)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,24,26)
InChIKeyIYACLEQWJLJPBV-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.81
Rot. Bonds4

About N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide

N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 58470331) has the molecular formula C23H16N2O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID58470331
Molecular FormulaC23H16N2O3S
Molecular Weight400.46 g/mol
Exact Mass400.09
IUPAC NameN-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cc1nc2ccc(-c3ccccc3)cc2s1)Nc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C23H16N2O3S/c26-21(24-17-8-6-16-13-28-23(27)18(16)11-17)12-22-25-19-9-7-15(10-20(19)29-22)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,24,26)
InChIKeyIYACLEQWJLJPBV-UHFFFAOYSA-N
XLogP4.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide
CID 58470188
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470353
N-(4-aminophenyl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 88981712
N-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470271
1-(1,3-dihydroisoindol-2-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)ethanone
CID 58470633
N-(4-oxobutyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 88894975
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 58470043
N-(3-methoxy-2-oxopropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470073
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxopropyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470668
N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470194
N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470038
N-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 146694760

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide (CID 58470331) is N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide is O=C(Cc1nc2ccc(-c3ccccc3)cc2s1)Nc1ccc2c(c1)C(=O)OC2.
What is the InChIKey of N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is IYACLEQWJLJPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3S/c26-21(24-17-8-6-16-13-28-23(27)18(16)11-17)12-22-25-19-9-7-15(10-20(19)29-22)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,24,26).
What are the key properties of N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 58470331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).