2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide

C19H21NO3S — CID 111519796

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide
SMILESCc1cc2occ(CC(=O)NCC(C)(O)c3ccsc3)c2cc1C
InChIInChI=1S/C19H21NO3S/c1-12-6-16-14(9-23-17(16)7-13(12)2)8-18(21)20-11-19(3,22)15-4-5-24-10-15/h4-7,9-10,22H,8,11H2,1-3H3,(H,20,21)
InChIKeyILMXDUDBCAOIDL-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.68
Rot. Bonds5

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide (PubChem CID 111519796) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide
PubChem CID111519796
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide
SMILESCc1cc2occ(CC(=O)NCC(C)(O)c3ccsc3)c2cc1C
InChIInChI=1S/C19H21NO3S/c1-12-6-16-14(9-23-17(16)7-13(12)2)8-18(21)20-11-19(3,22)15-4-5-24-10-15/h4-7,9-10,22H,8,11H2,1-3H3,(H,20,21)
InChIKeyILMXDUDBCAOIDL-UHFFFAOYSA-N
XLogP3.68
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 34201561
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 35518370
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide
CID 95782433
N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119405292
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950374
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119605884

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide (CID 111519796) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide is Cc1cc2occ(CC(=O)NCC(C)(O)c3ccsc3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide?
The InChIKey is ILMXDUDBCAOIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-12-6-16-14(9-23-17(16)7-13(12)2)8-18(21)20-11-19(3,22)15-4-5-24-10-15/h4-7,9-10,22H,8,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide is sourced from PubChem (CID 111519796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).