N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

C19H16N2O3S — CID 46828655

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESCC(NC(=O)CSc1nc2ccccc2o1)c1cc2ccccc2o1
InChIInChI=1S/C19H16N2O3S/c1-12(17-10-13-6-2-4-8-15(13)23-17)20-18(22)11-25-19-21-14-7-3-5-9-16(14)24-19/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyWPIFJLJPCXGGMU-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.54
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (PubChem CID 46828655) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
PubChem CID46828655
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESCC(NC(=O)CSc1nc2ccccc2o1)c1cc2ccccc2o1
InChIInChI=1S/C19H16N2O3S/c1-12(17-10-13-6-2-4-8-15(13)23-17)20-18(22)11-25-19-21-14-7-3-5-9-16(14)24-19/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyWPIFJLJPCXGGMU-UHFFFAOYSA-N
XLogP4.54
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140242
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716324
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pentan-3-ylacetamide
CID 2693066
(2R)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 79009461
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42885562
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8510980
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8582334
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8511819
(2S)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822444
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7756631
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 71893219
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 41103568

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (CID 46828655) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is CC(NC(=O)CSc1nc2ccccc2o1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The InChIKey is WPIFJLJPCXGGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-12(17-10-13-6-2-4-8-15(13)23-17)20-18(22)11-25-19-21-14-7-3-5-9-16(14)24-19/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide has a molecular weight of 352.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 46828655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).