N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide

C14H11NO3S — CID 566349

IUPACN-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C14H11NO3S/c16-13(7-11-2-1-5-19-11)15-10-4-3-9-8-18-14(17)12(9)6-10/h1-6H,7-8H2,(H,15,16)
InChIKeyCLTSOMKKHQMWPA-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.60
Rot. Bonds3

About N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide

N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 566349) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide
PubChem CID566349
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC NameN-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C14H11NO3S/c16-13(7-11-2-1-5-19-11)15-10-4-3-9-8-18-14(17)12(9)6-10/h1-6H,7-8H2,(H,15,16)
InChIKeyCLTSOMKKHQMWPA-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-thiophen-2-ylacetamide
CID 16826898
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide
CID 110405726
2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate
CID 6927801
N-(3-oxo-1H-2-benzofuran-5-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470331
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-thiophen-2-ylacetamide
CID 40946944
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-thiophen-2-ylacetamide
CID 16930865
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide
CID 93124034
N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 39905915

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide (CID 566349) is N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc2c(c1)C(=O)OC2.
What is the InChIKey of N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is CLTSOMKKHQMWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c16-13(7-11-2-1-5-19-11)15-10-4-3-9-8-18-14(17)12(9)6-10/h1-6H,7-8H2,(H,15,16).
What are the key properties of N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide?
N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 273.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 566349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).