5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide

C16H15NO3S — CID 94096638

IUPAC5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC[C@H]2Cc3ccccc3O2)s1
InChIInChI=1S/C16H15NO3S/c1-10(18)14-6-7-15(21-14)16(19)17-9-12-8-11-4-2-3-5-13(11)20-12/h2-7,12H,8-9H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyGJHSKHVNWOWUPX-GFCCVEGCSA-N
MW301.37 g/mol
LogP2.68
Rot. Bonds4

About 5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide

5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 94096638) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
PubChem CID94096638
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NC[C@H]2Cc3ccccc3O2)s1
InChIInChI=1S/C16H15NO3S/c1-10(18)14-6-7-15(21-14)16(19)17-9-12-8-11-4-2-3-5-13(11)20-12/h2-7,12H,8-9H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyGJHSKHVNWOWUPX-GFCCVEGCSA-N
XLogP2.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 39237368
2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 38305931
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
(2R)-N-[[(2R)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26344560
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide (CID 94096638) is 5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NC[C@H]2Cc3ccccc3O2)s1.
What is the InChIKey of 5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is GJHSKHVNWOWUPX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-10(18)14-6-7-15(21-14)16(19)17-9-12-8-11-4-2-3-5-13(11)20-12/h2-7,12H,8-9H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 94096638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).