2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide

C16H14N2O3S — CID 2115913

IUPAC2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESCc1ccc2c(CC(=O)Nc3sccc3C(N)=O)coc2c1
InChIInChI=1S/C16H14N2O3S/c1-9-2-3-11-10(8-21-13(11)6-9)7-14(19)18-16-12(15(17)20)4-5-22-16/h2-6,8H,7H2,1H3,(H2,17,20)(H,18,19)
InChIKeyHEDGMIFPYLNAQJ-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.08
Rot. Bonds4

About 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 2115913) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID2115913
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
SMILESCc1ccc2c(CC(=O)Nc3sccc3C(N)=O)coc2c1
InChIInChI=1S/C16H14N2O3S/c1-9-2-3-11-10(8-21-13(11)6-9)7-14(19)18-16-12(15(17)20)4-5-22-16/h2-6,8H,7H2,1H3,(H2,17,20)(H,18,19)
InChIKeyHEDGMIFPYLNAQJ-UHFFFAOYSA-N
XLogP3.08
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide (CID 2115913) is 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide is Cc1ccc2c(CC(=O)Nc3sccc3C(N)=O)coc2c1.
What is the InChIKey of 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is HEDGMIFPYLNAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-9-2-3-11-10(8-21-13(11)6-9)7-14(19)18-16-12(15(17)20)4-5-22-16/h2-6,8H,7H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2115913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).