5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide

C16H17NO2S — CID 122566939

IUPAC5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cccc3c2OCC3)s1
InChIInChI=1S/C16H17NO2S/c1-10(2)17-16(18)14-7-6-13(20-14)12-5-3-4-11-8-9-19-15(11)12/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyHULHOZFUAXQDLM-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.49
Rot. Bonds3

About 5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide

5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 122566939) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID122566939
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cccc3c2OCC3)s1
InChIInChI=1S/C16H17NO2S/c1-10(2)17-16(18)14-7-6-13(20-14)12-5-3-4-11-8-9-19-15(11)12/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyHULHOZFUAXQDLM-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide (CID 122566939) is 5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)NC(=O)c1ccc(-c2cccc3c2OCC3)s1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is HULHOZFUAXQDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-10(2)17-16(18)14-7-6-13(20-14)12-5-3-4-11-8-9-19-15(11)12/h3-7,10H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide?
5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-7-yl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 122566939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).